Chemist
Chemist

Biography

During the 1960s and 1970s, Thomas Blake grew up in bucolic, idyllic, heroic Newtown, Connecticut. He received his BS (1981) in chemistry with a minor in mathematics from the University of Bridgeport (Bridgeport, CT). He received his PhD (1989) in chemical physics from Wesleyan University (Middletown, CT) under the mentorship of Prof. Stewart E. Novick. Blake’s graduate work involved studying the fluorescence spectroscopy of molecular fragments, dissociated using 100 eV electrons, in supersonic jets. His research team’s interest was in understanding the electronic, vibrational, and rotational population distributions of the fragments in the cold jets. Blakes’s graduate work also included determining the structures of weakly-bound molecular clusters generated in supersonic jets using molecular beam electric resonance (MBER) microwave spectroscopy and resonant cavity Fourier transform microwave (FTM) spectroscopy.

He did his postdoctoral work (1988–1991) at the University of Washington under the mentorship of Prof. Robert Watts, where he examined the structures of weakly-bound molecules, again in supersonic jets, using infrared laser spectroscopy. He also received a National Research Council Postdoctoral Fellowship to do research (1991–1994) at the NASA Ames Research Center in Moffett Field, California, with Charles Chackerian and James Podolske. There, the research team built protype infrared laser-based Zeeman spectrometers for detecting trace free radicals in the Earth’s atmosphere.

Blake started at Pacific Northwest National Laboratory in 1994, working with Steven Sharpe. His research team measured rotationally resolved infrared spectra of jet-cooled molecules and molecular clusters to determine their structures and vibrational energy patterns. As part of the Environmental Molecular Sciences Laboratory, Blake managed the research group’s external user portfolio. The team published more than eighty peer-reviewed articles with two dozen external users over a twelve-year period. With James Kelly, Blake and team developed side band modulated infrared laser systems for performing remote sensing of gases. With Paul Gassman, Blake and team originated methods to measure and analyze infrared reflectance spectra of chemicals spilled on soils. Along with Tim Johnson, Robert Sams, and Sharpe, Blake and team started what later became the quantitative infrared spectral database that is now used by researchers to quantify concentrations of chemicals in the atmosphere. Using ellipsometry, Blake also measured infrared optical constants of materials of interest to optical reflection remote sensing. Many of these research activities continue to this day. Current research also includes understanding chemical source terms in industrial processes and the fate of chemicals released into the environment.

Research Interest

  • Rotationally resolved infrared and microwave spectroscopy of small molecules and molecular clusters
  • Quantitative measurement of infrared absorption intensities of small gas phase molecules
  • Optical constants measurements of bulk and layered materials using infrared ellipsometry
  • Chemical fate of gas phase molecules in the atmosphere
  • Determining chemical source terms in industrial processes

Education

  • PhD in chemical physics, Wesleyan University, 1989
  • BS in chemistry, University of Bridgeport, 1981

Affiliations and Professional Service

  • American Chemical Society
  • American Physical Society
  • Phi Kappa Phi National Honor Society
  • Sigma Xi Scientific Research Honor Society

Patents

  • Alexander M.L, T.A. Blake, J.F. Kelly, J.J. Moran, M.K. Newburn, and R.L. Sams. 2018. U.S Patent No. 9,952,144: Capillary absorption spectrometer and process for isotopic analysis of small samples. Assignee: Battelle Memorial Institute, Richland, WA. Date of patent April 24, 2018.
  • Alexander M.L., J.F. Kelly, R.L. Sams, J.J. Moran, M.K. Newburn, T.A. Blake. 2016. U.S. Patent No. 9,297,756 B2: Capillary absorption spectrometer and process for isotopic analysis of small samples. Assignee: Battelle Memorial Institute, Richland, WA. Date of patent March 29, 2016.

Publications

2023

  • Grubel K., W.S. Rosenthal, S. Autrey, N.J. Henson, K. Koh, S.E. Flowers, and T.A. Blake. 2023. "An experimental, computational, and uncertainty analysis study of the rates of iodoalkane trapping by DABCO in solution phase organic media." Physical Chemistry Chemical Physics 25, no. 9:6914-6926. PNNL-SA-179160. doi:10.1039/d2cp05286e
  • Masiello A., J.W. Vant, C.S. Brauer, and T.A. Blake. 2023. "Analysis of the Rotationally-Resolved Infrared spectrum of CD379Br and CD381Br between 900 and 1400cm-1." Journal of Molecular Spectroscopy 393:111760. PNNL-SA-180056. doi:10.1016/j.jms.2023.111760

2022

  • Kang L., H. Nguyen, C.B. Falls, A.B. Seys, W.C. Pringle, T.A. Blake, and S.E. Novick, et al. 2022. "The Microwave Spectrum of the Difluorocyanomethyl Radical CF2CN." Journal of Molecular Spectroscopy 385:111618. PNNL-SA-170046. doi:10.1016/j.jms.2022.111618

2021

  • Liu J., P.K. Thallapally, and T.A. Blake. 2021. “Understanding the Adsorption of Noble Gases in Metal-Organic Frameworks Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy.” Industrial and Engineering Chemistry Research 60, no. 45:16469-16477. PNNL-SA-165475. doi.org/10.1021/acs.iecr.1c03255.
  • Johnson T.J., K.D. Hughey, T.A. Blake, S.W. Sharpe, T.L. Myers, and R.L. Sams. 2021. "Confirmation of PNNL Quantitative Infrared Cross-Sections for Isobutane." Journal of Physical Chemistry A 125, no. 17:3793-3801. PNNL-SA-160407. doi:10.1021/acs.jpca.1c01933
  • Masiello A., S. Ray, J.W. Vant, C.S. Brauer, and T.A. Blake. 2021. "The High-Resolution Infrared Analysis of the n3 and n6 bands of CD3Br." Journal of Molecular Spectroscopy 376:111405. PNNL-SA-156403. doi:10.1016/j.jms.2020.111405
  • Yokosuk M.O., T. Tiwald, D.L. Saunders, T.A. Blake, and T.L. Myers. 2021. "Combining Spectroscopic Techniques to Determine the Optical Constants of Powdered Lactose." Applied Optics 60, no. 8:2412-2421. PNNL-SA-157562. doi:10.1364/AO.414107
  • Yokosuk M.O., T. Tiwald, D.L. Saunders, T.A. Blake, T.J. Johnson, and T.L. Myers. 2021. "Combining Spectroscopic Ellipsometry with Transmission Spectroscopy to Derive Accurate Optical Constants for Organic Materials." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XXII, April 12-16, 2021, Virtual, Online. Proceedings of the SPIE, 11749, Paper No. 117490S. Bellingham, Washington:SPIE. PNNL-SA-160811. doi:10.1117/12.2588323

2020

  • Diaz E., K.D. Hughey, A. Dohnalkova, T.L. Myers, T.A. Blake, S.D. Burton, and T.J. Johnson. 2020. "Impact of pellet preparation on reflectance measurements of ammonium sulfate by single-angle reflectance spectroscopy." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XXI; SPIE Defense + Commercial Sensing. Proceedings of the SPIE, edited by J.A. Guicheteau and C.R. Howle, 11416, Paper No. 1141604. Bellingham, Washington:SPIE. PNNL-SA-152567. doi:10.1117/12.2559989
  • Hughey K.D., A.M. Bradley, R.G. Tonkyn, H.M. Felmy, T.A. Blake, S.A. Bryan, and T.J. Johnson, et al. 2020. "Absolute Band Intensity of the Iodine Monochloride Fundamental Mode for Infrared Sensing and Quantitative Analysis." Journal of Physical Chemistry A 124, no. 46:9578-9588. PNNL-SA-154340. doi:10.1021/acs.jpca.0c07353
  • Johnson T.J., E. Diaz, K.D. Hughey, T.L. Myers, T.A. Blake, A. Dohnalkova, and S.D. Burton. 2020. "Infrared Optical Constants from Pressed Pellets of Powders: I. Improved n and k Values of (NH4)2SO4 from Single-Angle Reflectance." Applied Spectroscopy 74, no. 8:851-867. PNNL-SA-150911. doi:10.1177/0003702820930009
  • Myers T.L., T.A. Blake, M.O. Yokosuk, G. Fortin, and T.J. Johnson. 2020. "Improved Infrared Optical Constants from Pressed Pellets: II. Ellipsometric n and k Values for Ammonium Sulfate with Variability Analysis." Applied Spectroscopy 74, no. 8:868-882. PNNL-SA-150960. doi:10.1177/0003702820928358
  • Nibler J.W., B.A. Erickson, C.S. Brauer, T. Masiello, and T.A. Blake. 2020. "Analysis of several high-resolution infrared bands of perdeutero-spiropentane, C5D8." Journal of Molecular Spectroscopy 372:111350. PNNL-SA-155610. doi:10.1016/j.jms.2020.111350
  • Orellana W.D., S.L. Stephens, S.E. Novick, S.A. Cooke, C.S. Brauer, and T.A. Blake. 2020. "A Study of the Conformational Isomerism of n-Propyl Nitrate by Microwave Spectroscopy." Journal of Molecular Spectroscopy 374:111376. PNNL-SA-153497. doi:10.1016/j.jms.2020.111376
  • Sams R.L., and T.A. Blake. 2020. "Ro-vibrational Spectroscopy of 2,5-Norbornadiene between 400 and 850 cm-1." Journal of Molecular Spectroscopy 373:111354. PNNL-SA-153806. doi:10.1016/j.jms.2020.111354

2018

  • Blake T.A., T.J. Johnson, R.G. Tonkyn, B.M. Forland, T.L. Myers, C.S. Brauer, and Y. Su, et al. 2018. "Methods for Quantitative Infrared Directional-Hemispherical and Diffuse Reflectance Measurements Using an FTIR and a Commercial Integrating Sphere." Applied Optics 57, no. 3:432-446. PNNL-SA-128926. doi:10.1364/AO.57.000432
  • Malathy Devi V., R.R. Gamache, B. Vispoel, C.L. Renaud, D.C. Benner, M.A. Smith, and T.A. Blake, et al. 2018. "Line shape parameters of air-broadened water vapor transitions in the n1 and n3 spectral region." Journal of Molecular Spectroscopy 348:13-36. PNNL-SA-128866. doi:10.1016/j.jms.2017.11.011
  • Bernacki B.E., T.J. Johnson, T.L. Myers, and T.A. Blake. 2018. “Modeling liquid organic thin films on substrates.” Proceedings of SPIE 10629:1062916-1-9. Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIX. Event: SPIE Defense + Security, 2018, Orlando, Florida, United States. PNNL-SA-133121 doi.org/10.1117/12.2299873

2017

  • Arsenault E.A., D.A. Obenchain, T.A. Blake, S.A. Cooke, and S.E. Novick. 2017. "A Study of the Conformational Isomerism of -lodobutane by High Resolution Rotational Spectroscopy." Journal of Molecular Spectroscopy 335:17-22. PNNL-SA-123377. doi:10.1016/j.jms.2017.03.014
  • Blake T.A., C.S. Brauer, M.K. Kelly-Gorham, S.D. Burton, M. Bliss, T.L. Myers, and T.J. Johnson, et al. 2017. "Measurement of the infrared optical constants for spectral modeling: n and k values for (NH4)2SO4 via single-angle reflectance and ellipsometric methods." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXIII, April 9, 2017, Anaheim, California. Proceedings of the SPIE, edited by M. Velez-Reyes and D.W. Messinger, 10198, Article No. 101980J. Bellingham, Washington:SPIE. PNNL-SA-124897. doi:10.1117/12.2264501
  • Blake T.A., J. Flaud, and W.J. Lafferty. 2017. "First analysis of the rotationally-resolved n2 and 2n2- n2 bands of sulfur dioxide, 33S16O2." Journal of Molecular Spectroscopy 333:19-22. PNNL-SA-120751. doi:10.1016/j.jms.2016.12.011
  • Flaud J., T.A. Blake, and W.J. Lafferty. 2017. "First high-resolution analysis of the n1, n3 and n1 + n3 bands of sulfur dioxide 33S16O2." Molecular Physics 115, no. 4:447-453. PNNL-SA-121711. doi:10.1080/00268976.2016.1269966
  • Zheng J., V.S. Vemuri, L. Estevez, P.K. Koech, T. Varga, D.M. Camaioni, and T.A. Blake, et al. 2017. "Pore-Engineered Metal-Organic Frameworks with Excellent Adsorption of Water and Fluorocarbon Refrigerant for Cooling Applications." Journal of the American Chemical Society 139, no. 31:10601-10604. PNNL-SA-124980. doi:10.1021/jacs.7b04872

2016

  • Arsenault E.A., D.A. Obenchain, Y. Choi, T.A. Blake, S.A. Cooke, and S.E. Novick. 2016. "A Study of 2-Iodobutane by Rotational Spectroscopy." Journal of Physical Chemistry A 120, no. 36:7145-7151. PNNL-SA-118921. doi:10.1021/acs.jpca.6b06938
  • Beiswenger T.N., T.L. Myers, C.S. Brauer, Y. Su, T.A. Blake, A.B. Ertel, and R.G. Tonkyn, et al. 2016. "Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXII, April 17, 2016, Baltimore, Maryland. Proceedings of the SPIE, edited by M. Velez-Reyes and D.W. Messinger, 9840, Paper No. 98400I. Bellingham, Washington:SPIE. PNNL-SA-117157. doi:10.1117/12.2223909
  • Erickson B.A., X. Ju, J.W. Nibler, C.M. Beaudry, and T.A. Blake. 2016. "High-Resolution Infrared Studies of Perdeutero-Spiropentane, C5D8." Journal of Molecular Spectroscopy 325:13-19. PNNL-SA-118043. doi:10.1016/j.jms.2016.05.003
  • Lindenmaier R., N.M. Tipton, R.L. Sams, C.S. Brauer, T.A. Blake, S.D. Williams, and T.J. Johnson. 2016. "Assignment of the Fundamental Modes of Hydroxyacetone Using Gas-Phase Infrared, Far-Infrared, Raman and ab Initio Methods: Band Strengths for Atmospheric Measurements." Journal of Physical Chemistry A 120, no. 30:5993-3003. PNNL-SA-117947. doi:10.1021/acs.jpca.6b05045

2015

  • Brauer C.S., T.J. Johnson, T.L. Myers, Y. Su, T.A. Blake, and B.M. Forland. 2015. "Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XVI, April 20, 2015, Baltimore, Maryland. Proceedings of the SPIE, 9455, Article No. 945505. Bellingham, Washington:SPIE. PNNL-SA-109821. doi:10.1117/12.2179736
  • Johnson T.J., T.A. Blake, C.S. Brauer, Y. Su, B.E. Bernacki, T.L. Myers, and R.G. Tonkyn, et al. 2015. "Reflectance Spectroscopy for Sample Identification: Considerations for Quantitative Library Results at Infrared Wavelengths." In International Conference on Advanced Vibrational Spectroscopy (ICAVS 8), July 12-17, 2015, Vienna, Austria, 454-455. Vienna:ICAVS. PNNL-SA-113555.
  • Maki A.G., J.E. Price, J. Harzan, J.W. Nibler, A. Weber, T. Masiello, and T.A. Blake. 2015. "Analysis of several high-resolution infrared bands of spiropentane, C5H8." Journal of Molecular Spectroscopy 312:68-77. PNNL-SA-111275. doi:10.1016/j.jms.2015.03.013
  • Myers T.L., C.S. Brauer, Y. Su, T.A. Blake, R.G. Tonkyn, A.B. Ertel, and T.J. Johnson, et al. 2015. "Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size." Applied Optics 54, no. 15:4863-4875. PNNL-SA-108358. doi:10.1364/AO.54.004863

2014

  • Blake T.A., T.J. Johnson, R.G. Tonkyn, B.M. Forland, T.L. Myers, C.S. Brauer, and Y. Su. 2014. "Quantitative Total and Diffuse Reflectance Laboratory Measurements for Remote, Standoff, and Point Sensing." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XV, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, edited by A.W. Fountain, 9073, Paper No. 907303. Bellingham, Washington:SPIE. PNNL-SA-103272. doi:10.1117/12.2054116
  • Brauer C.S., T.A. Blake, A.B. Guenther, S.W. Sharpe, R.L. Sams, and T.J. Johnson. 2014. "Quantitative infrared absorption cross sections of isoprene for atmospheric measurements." Atmospheric Measurement Techniques 7, no. 11:3839-3847. PNNL-SA-101735. doi:10.5194/amt-7-3839-2014
  • Brauer C.S., T.J. Johnson, T.A. Blake, S.W. Sharpe, R.L. Sams, and R.G. Tonkyn. 2014. "The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates." In Advanced Environmental, Chemical, and Biological Sensing Technologies XI, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, edited by T. Vo-Dinh, R.A. Lieberman and G.G. Gauglitz, 9106, Paper No. 910604. Bellingham, Washington:SPIE. PNNL-SA-102648. doi:10.1117/12.2053591
  • Craig N.C., Y. Chen, H. van Besien, and T.A. Blake. 2014. "Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1." Journal of Molecular Spectroscopy 303:26-35. PNNL-SA-102173. doi:10.1016/j.jms.2014.07.001
  • Ding F., W. Xu, X. Chen, J. Zhang, Y. Shao, M.H. Engelhard, and Y. Zhang, et al. 2014. "Effects of Cesium Cations in Lithium Deposition via Self-Healing Electrostatic Shield Mechanism." Journal of Physical Chemistry C 118, no. 8:4043-4049. PNNL-SA-98906. doi:10.1021/jp4127754
  • Kelly J.F., R.L. Sams, T.A. Blake, and J.M. Kriesel. 2014. "Further developments of capillary absorption spectrometers using small hollow-waveguide fibers." In Quantum Sensing and Nanophotonic Devices XI, February 1, 2014, San Francisco, California. Proceedings of the SPIE, edited by M. Razeghi, E. Tournie and G.J. Brown, 8993, Paper No. 89931O. Bellingham, Washington:SPIE. PNNL-SA-99950. doi:10.1117/12.2042734
  • Myers T.L., C.S. Brauer, Y. Su, T.A. Blake, T.J. Johnson, and R.L. Richardson. 2014. "The Influence of Particle Size on Infrared Reflectance Spectra." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XX, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, edited by M Velez-Reyes and FA Kruse, 9088, Paper No. 908809. Bellingham, Washington:SPIE. PNNL-SA-102635. doi:10.1117/12.2053350
  • Su Y., T.L. Myers, C.S. Brauer, T.A. Blake, B.M. Forland, J.E. Szecsody, and T.J. Johnson. 2014. "Infrared reflectance spectra: Effects of particle size, provenance and preparation." In Optics and Photonics for Counterterrorism, Crime Fighting, and Defence X; and Optical Materials and Biomaterials in Security and Defence Systems Technology XI, 9253, Art. No. 925304. Amsterdam:Douglas Burgess, Roberto Zamboni, et al. PNNL-SA-106258. doi:10.1117/12.2069954

2013

  • Craig N.C., Y. Chen, Y. Lu, C.F. Neese, D.J. Nemchick, and T.A. Blake. 2013. "Analysis of the rotational structure in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-1-d1 and trans,trans-1,4-difluorobutadiene-1,4-d2." Journal of Molecular Spectroscopy 288:18-27. PNNL-SA-93686. doi:10.1016/j.jms.2013.03.006
  • Ding F., W. Xu, X. Chen, J. Zhang, M.H. Engelhard, Y. Zhang, and B.R. Johnson, et al. 2013. "Effects of Carbonate Solvents and Lithium Salts on Morphology and Coulombic Efficiency of Lithium Electrode." Journal of the Electrochemical Society 160, no. 10:A1894-A1901. PNNL-SA-96244. doi:10.1149/2.100310jes
  • Phillips M.C., I.M. Craig, and T.A. Blake. 2013. "Reflection-Absorption Infrared Spectroscopy of Thin Films Using an External Cavity Quantum Cascade Laser." In Quantum Sensing and Nanophotonic Devices X, February 2, 2013, San Francisco, California. Proceedings of the SPIE, edited by M Razeghi, 8631, Paper No. 86310C. Bellingham, Washington:SPIE. PNNL-SA-92467. doi:10.1117/12.2002849
  • Sweet L.E., D.D. Reilly, D.G. Abrecht, E.C. Buck, D.E. Meier, Y. Su, and C.S. Brauer, et al. 2013. "Spectroscopic Studies of the Several Isomers of UO3." In Optics and Photonics for Counterterrorism, Crime Fighting and Defence IX; and Optical Materials and Biomaterials in Security and Defence Systems Technology X, September 23, 2013, Dresden, Germany. Proceedings of the SPIE, edited by R. Zamboni, et al, 8901, Paper No. 890107. Bellingham, Washington:SPIE. PNNL-SA-98300. doi:10.1117/12.2029408
  • Sweet L.E., T.A. Blake, C.H. Henager, S.Y. Hu, T.J. Johnson, D.E. Meier, and S.M. Peper, et al. 2013. "Investigation of the Polymorphs and Hydrolysis of Uranium Trioxide." Journal of Radioanalytical and Nuclear Chemistry 296, no. 1:105-110. PNNL-SA-86645. doi:10.1007/s10967-012-2063-9
  • Wright C.R., J. Holmes, J.W. Nibler, K. Hedberg, J.D. White, L. Hedberg, and A. Weber, et al. 2013. "High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)." Journal of Physical Chemistry A 117, no. 19:4035-4043. PNNL-SA-95554. doi:10.1021/jp401813t

2012

  • Craig N.C., H. Tian, and T.A. Blake. 2012. "Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of trans-Hexatriene-1-13C1; A Semiexperimental Equilibrium Structure for the C6 Backbone for trans-Hexatriene." Journal of Physical Chemistry A 116, no. 12:3148-3155. PNNL-SA-82618. doi:10.1021/jp211791r
  • Duxbury G., J.F. Kelly, T.A. Blake, and N. Langford. 2012. "Observation of Infrared Free-Induction Decay and Optical Nutation Signals from Nitrous Oxide Using a Current Modulated Quantum Cascade Laser." Journal of Chemical Physics 136, no. 17:174317. PNNL-SA-84720. doi:10.1063/1.4710540
  • Duxbury G., J.F. Kelly, T.A. Blake, and N. Langford. 2012. "Sub-Doppler Spectra of Infrared Hyperfine Transitions of Nitric Oxide Using a Pulse Modulated Quantum Cascade Laser: Rapid Passage, Free Induction Decay and the AC Stark Effect." Journal of Chemical Physics 136, no. 17:174319. PNNL-SA-82230. doi:10.1063/1.4710542
  • Duxbury G., J.F. Kelly, T.A. Blake, and N. Langford. 2012. "The AC-Stark Effect in Nitric Oxide Induced by Rapidly Swept Continuous Wave Quantum Cascade Lasers." Journal of Chemical Physics 136, no. 17:174318. PNNL-SA-82175. doi:10.1063/1.4710541
  • Kelly J.F., R.L. Sams, T.A. Blake, M.K. Newburn, J.J. Moran, M.L. Alexander, and H.W. Kreuzer. 2012. "A Capillary Absorption Spectrometer for Stable Carbon Isotope Ratio (13C/12C) Analysis in Very Small Samples." Review of Scientific Instruments 83, no. 2:Article No. 023101. PNNL-SA-81307. doi:10.1063/1.3680593
  • Kelly J.F., T.A. Blake, B.E. Bernacki, and T.J. Johnson. 2012. "Design Considerations for a Portable Raman Probe Spectrometer for Field Forensics." International Journal of Spectroscopy 2012. PNNL-SA-86322. doi:10.1155/2012/938407
  • Kirkpatrick R.W., T. Masiello, M.A. Martin, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake. 2012. "High-resolution infrared studies of the n10, n11, n14, and n18 Levels of [1.1.1]propellane." Journal of Molecular Spectroscopy 281:51-62. PNNL-SA-89494. doi:10.1016/j.jms.2012.09.001
  • Perry A.J., M.A. Martin, J.W. Nibler, A.G. Maki, A. Weber, and T.A. Blake. 2012. "Coriolis Analysis of Several High-Resolution Infrared Bands of Bicyclo[111]pentane-d0 and -d1." Journal of Molecular Spectroscopy 276-277:22-32. PNNL-SA-87628. doi:10.1016/j.jms.2012.06.008
  • Sams R.L., S.S. Xantheas, and T.A. Blake. 2012. "Vapor Phase Infrared Spectroscopy and Ab Initio Fundamental Anharmonic Frequencies of Ammonia Borane." Journal of Physical Chemistry A 116, no. 12:3124-3136. PNNL-SA-84352. doi:10.1021/jp2115753
  • Sweet L.E., E.C. Buck, C.H. Henager, S.Y. Hu, D.E. Meier, S.M. Peper, and J.M. Schwantes, et al. 2012. "Investigations into the Polymorphs and Hydration Products of UO3." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIII, April 24, 2012, Baltimore, Maryland. Proceedings of the SPIE, edited by A.W. Fountain III, 8358, Article No. 83581R. Bellingham, Washington:SPIE. PNNL-SA-87572. doi:10.1117/12.919706

2011

  • Goss L.M., W.R. Hess, T.A. Blake, and R.L. Sams. 2011. "The High-Resolution, Jet-cooled Infrared Spectrum of Pentafluoroethane." Journal of Molecular Spectroscopy 265, no. 2:81-85. PNNL-SA-79075. doi:10.1016/j.jms.2010.11.002
  • Price J.E., K.A. Coulterpark, T. Masiello, J.W. Nibler, A. Weber, A.G. Maki, and T.A. Blake. 2011. "High-Resolution Infrared Spectra of Spiropentane, C5H8." Journal of Molecular Spectroscopy 269, no. 1:129-136. PNNL-SA-78852. doi:10.1016/j.jms.2011.05.011

2010

  • Bernacki B.E., T.A. Blake, A. Mendoza, and T.J. Johnson. 2010. "Visible Hyperspectral Imaging for Standoff Detection of Explosives on Surfaces." In Optics and Photonics for Counterterrorism and Crime Fighting VI and Optical Materials in Defence Systems Technology VII: Proceedings of the SPIE, edited by C. Lewis, D. Burgess, R. Zamboni, F. Kajzar and E.M. Heckman, 7838, Paper No. 78380C. Bellingham, Washington:SPIE. PNNL-SA-75496. doi:10.1117/12.870739
  • Craig N.C., M.C. Leyden, M.C. Moore, A.K. Patchen, T. van den Heuvel, T.A. Blake, and T. Masiello, et al. 2010. "A reevaluation of the assignment of the vibrational fundamentals and the rotational analysis of bands in the high-resolution infrared spectra of trans- and cis- 1,3,5-hexatriene." Journal of Molecular Spectroscopy 262, no. 1:49-60. PNNL-SA-70785. doi:10.1016/j.jms.2010.05.002
  • Devi V.M., C.P. Rinsland, D.C. Benner, R.L. Sams, and T.A. Blake. 2010. "Multispectrum analysis of the v9 band of 12C2H6: Positions, intensities, self- and N2-broadened half-width coefficients." Journal of Quantitative Spectroscopy and Radiative Transfer 111, no. 9:1234-1251. PNNL-SA-68767. doi:10.1016/j.jqsrt.2009.10.017
  • Gallagher N.B., J.F. Kelly, and T.A. Blake. 2010. "Passive Infrared Hyperspectral Imaging for Standoff Detection of Tetryl Explosive Residue on a Steel Surface." In Proceedings of the 2nd Workshop on Hyperspectral Image and Signal Processing: Evolution in Remote Sensing (WHISPERS), June 14-16, 2010, Reykjavik, Iceland. Piscataway, New Jersey:IEEE. PNNL-SA-70717. doi:10.1109/WHISPERS.2010.5594839
  • Johnson T.J., T.A. Blake, R.L. Sams, and S.D. Burton. 2010. "Absolute Infrared Cross Sections of Gas-Phase H2O2 Using Fourier Transform Mid-Infrared Spectroscopy." In Fourier Transform Spectrometry, OSA Technical Digest, April 26-30, 2009, Vancouver, BC, Canada, Paper No. FWA6. Washington DC:Optical Society of America. PNNL-SA-64316.
  • Maki A., A. Weber, J.W. Nibler, T. Masiello, T.A. Blake, and R.W. Kirkpatrick. 2010. "High resolution infrared spectroscopy of [1.1.1]propellane: the region of the n9 band." Journal of Molecular Spectroscopy 264, no. 1:26-36. PNNL-SA-73401. doi:10.1016/j.jms.2010.08.008
  • Malathy Devi V., D.C. Benner, C. Rinsland, M. Smith, R.L. Sams, T.A. Blake, and J.M. Flaud, et al. 2010. "Multispectrum measurements of spectral line parameters including temperature dependences of N2- and self-broadened half-width coefficients in the region of the v9band of 12C2H6." Journal of Quantitative Spectroscopy and Radiative Transfer 111, no. 17-18:2481-2504. PNNL-SA-73488. doi:10.1016/j.jqsrt.2010.07.010
  • Martin M.A., A.J. Perry, T. Masiello, K.D. Schwartz, J.W. Nibler, A. Weber, and A. Maki, et al. 2010. "High-Resolution Infrared Spectra of Bicyclo[1.1.1]Pentane." Journal of Molecular Spectroscopy 262, no. 1:42-48. PNNL-SA-72086. doi:10.1016/j.jms.2010.04.010

2009

  • Blake T.A., J.F. Kelly, N.B. Gallagher, P.L. Gassman, and T.J. Johnson. 2009. "Passive Standoff Detection of RDX Residues on Metal Surfaces via Infrared Hyperspectral Imaging." Analytical and Bioanalytical Chemistry 395, no. 2:337-348. PNNL-SA-64981. doi.org/10.1007/s00216-009-2907-5
  • Johnson T.J., R.L. Sams, S.D. Burton, and T.A. Blake. 2009. "Absolute integrated intensities of vapor-phase hydrogen peroxide (H202) in the mid-infrared at atmospheric pressure." Analytical and Bioanalytical Chemistry 395, no. 2:377-386. PNNL-SA-65048. doi:10.1007/s00216-009-2805-x
  • Kirkpatrick R.W., T. Masiello, N. Jariyasopit, J.W. Nibler, A.G. Maki, T.A. Blake, and A. Weber. 2009. "High-resolution rovibrational study of the Coriolis-coupled n12 and n15 modes of [1.1.1]propellane." Journal of Molecular Spectroscopy 253, no. 1:41-50. PNNL-SA-61274. doi.org/10.1016/j.jms.2008.09.013
  • Lin W., W.C. Pringle, S.E. Novick, and T.A. Blake. 2009. "Microwave Spectrum of the Argon-Tropolone van der Waals Complex." Journal of Physical Chemistry A 113, no. 47:13076-13080. PNNL-SA-64502. doi.org/10.1021/jp901086a
  • Maki A., T. Masiello, T.A. Blake, J.W. Nibler, and A. Weber. 2009. "On the Determination of C0 (or A0), D0K, H0K, and Some Dark States for Symmetric-top Molecules from Infrared Spectra without the Need for Localized Perturbations." Journal of Molecular Spectroscopy 255, no. 1:56-62. PNNL-SA-63923. doi.org/10.1016/j.jms.2009.02.004
  • Masiello T., A. Maki, and T.A. Blake. 2009. "Analysis of the High-Resolution Infrared Spectrum of Cyclopropane." Journal of Molecular Spectroscopy 255, no. 1:45-55. PNNL-SA-64978. doi.org/10.1016/j.jms.2009.02.005

2008

  • Gallagher N.B., P.L. Gassman, and T.A. Blake. 2008. "Detection of Low Volatility Organic Analytes on Soils Using Infrared Reflection Spectroscopy." Journal of Near Infrared Spectroscopy 16, no. 3:179-187. PNNL-SA-56461. doi:10.1255/jnirs.776
  • Gallagher N.B., P.L. Gassman, and T.A. Blake. 2008. "Strategies for Detecting Organic Liquids on Soils Using Mid-Infrared Reflection Spectroscopy." Environmental Science & Technology 42, no. 15:5700-5705. PNNL-SA-59030. doi:10.1021/es8005404
  • Kelly J.F., A. Maki, T.A. Blake, and R.L. Sams. 2008. "Supersonic Free-Jet Quantum Cascade Laser Measurements of n4 for CF335Cl and CF337Cl and FTS Measurements from 400 to 1260 cm-1." Journal of Molecular Spectroscopy 252, no. 1:81-89. PNNL-SA-60884. doi:10.1016/j.jms.2008.07.001
  • Kirkpatrick R.W., T. Masiello, N. Jariyasopit, A. Weber, J.W. Nibler, A. Maki, and T.A. Blake, et al. 2008. "High Resolution Infrared Spectroscopy of [1.1.1] Propellane." Journal of Molecular Spectroscopy 248, no. 2:153-160. PNNL-SA-58206. doi.org/10.1016/j.jms.2007.12.009
  • Kleiner I., N. Moazzen-Ahmadi, A.W. McKellar, T.A. Blake, R.L. Sams, S.W. Sharpe, and G. Moruzzi, et al. 2008. "Assignment, Fit, and Theoretical Discussion of the n10 Band of Acetaldehyde Near 509 cm-1." Journal of Molecular Spectroscopy 252, no. 2:214-229. PNNL-SA-61355. doi:10.1016/j.jms.2008.09.004
  • Rinsland C.P., V.M. Devi, D.C. Benner, T.A. Blake, R.L. Sams, L.R. Brown, and I. Kleiner, et al. 2008. "Multispectrum Analysis of the n4 Band of CH3CN: Positions, Intensities, Self and N2 Broadening and Pressure-Induced Shifts." Journal of Quantitative Spectroscopy and Radiative Transfer 109, no. 6:974-994. PNNL-SA-58205. doi:10.1016/j.jqsrt.2007.11.013
  • Rinsland C.P., V.M. Devi, T.A. Blake, R.L. Sams, S.W. Sharpe, and L. Chiou. 2008. "Quantitative Measurement of Integrated Band Intensities of Benzene Vapor in the Mid-Infrared at 278, 298, and 323 K." Journal of Quantitative Spectroscopy and Radiative Transfer 109, no. 15:2511-2522. PNNL-SA-59000. doi.org/10.1016/j.jqsrt.2008.04.007
  • Smith M., C.P. Rinsland, T.A. Blake, R.L. Sams, D.C. Benner, and V.M. Devi. 2008. "Low Temperature Measurements of HCN Broadened by N2 in the 14-micron Spectral Region." Journal of Quantitative Spectroscopy and Radiative Transfer 109, no. 6:922-951. PNNL-SA-57755. doi:10.1016/j.jqsrt.2007.12.017
  • Blake T.A., P.L. Gassman, and N.B. Gallagher. 2008. “Detection and classification of organic and organophosphorous analytes on soil from reflection-absorption spectroscopy.” International Journal of High Speed Electronics and Systems 18, no. 2:319-336. doi.org/10.1142/S0129156408005370

2007

  • Blake T.A., E.D. Glendening, R.L. Sams, S.W. Sharpe, and S.S. Xantheas. 2007. "High Resolution Infrared Spectroscopy in the 1200-1300 cm-1 Region and Accurate Theoretical Estimates for the Structure and Ring-Puckering Barrier of Perfluorocyclobutane." Journal of Physical Chemistry A 111, no. 44:11328-11341. PNNL-SA-54711. doi:10.1021/jp072521f
  • Masiello T., A.G. Maki, and T.A. Blake. 2007. "The Analysis of Combination and Overtone States of 11BF3 from 1650 to 4600 cm-1." Journal of Molecular Spectroscopy 243, no. 1:16-31. PNNL-SA-52820. doi:10.1016/j.jms.2007.02.019
  • Perrin A.M., E. Bertseva, J. Flaud, D.R. Collett, H. Burger, T. Masiello, and T.A. Blake. 2007. "High Resolution Infrared Study of the 2n9 and n4 Bands of 10BF2OH and 11BF2OH: Evidence of Large Amplitude Effects for the OH- Torsion and OH-Bending Modes in the 92 and 41 and Excited States." Molecular Physics 105, no. 13-14:1833-1848. PNNL-SA-54543. doi:10.1080/00268970701426992

2006

  • Gallagher N.B., T.A. Blake, P.L. Gassman, J.M. Shaver, and W. Windig. 2006. "Multivariate Curve Resolution Applied to Infrared Reflection Measurements of Soil Contaminated with an Organophosphorus Analyte." Applied Spectroscopy 60, no. 7:713-722. PNNL-SA-43768. doi:10.1366/000370206777887026
  • Keske J.C., W. Lin, W.C. Pringle, S.E. Novick, T.A. Blake, and D.F. Plusquellic. 2006. "High Resolution Studies of Tropolone in the S0 and S1 Electronic States: Isotope Driven Dynamics in the Zero-Point Energy Levels." Journal of Chemical Physics 124, no. 7:074309. PNNL-SA-45426. doi:10.1063/1.2165652
  • Maki A., J.K. Watson, T. Masiello, and T.A. Blake. 2006. "Observation of a Forbidden E"-A'1 Infrared Transition in 11BF3." Journal of Molecular Spectroscopy 238, no. 2:135-144. PNNL-SA-48163. doi.org/10.1016/j.jms.2006.04.012
  • Xantheas S.S., and T.A. Blake. 2006. "Structure, Vibrational Spectra and Ring Puckering Barrier of Cyclobutane." Journal of Physical Chemistry A 110, no. 35:10487-10494. PNNL-SA-36478. doi:10.1021/jp062472r

2005

  • Gallagher N.B., T.A. Blake, and P.L. Gassman. 2005. "Application of Extended Inverse Scatter Correction to Mid-Infrared Reflectance Spectra of Soil." Journal of Chemometrics 19, no. 5-7:271-281. PNNL-SA-43038. doi:10.1002/cem.929
  • Maki A.G., T. Masiello, and T.A. Blake. 2005. "The High-Resolution Infrared Spectrum of 10BF3 from 400 to 4600 cm-1." Journal of Molecular Structure 742, no. 1-3:3-20. PNNL-SA-42610. doi:10.1016/j.molstruc.2004.11.089
  • Masiello T., A.G. Maki, and T.A. Blake. 2005. "The High-Resolution Infrared Spectrum of 11BF3 From 400 to 1650 cm-1." Journal of Molecular Spectroscopy 234, no. 1:122-136. PNNL-SA-45452. doi.org/10.1016/j.jms.2005.08.006
  • Redington R.L., T.E. Redington, T.A. Blake, R.L. Sams, and T.J. Johnson. 2005. "18O Effects on the Infrared Spectrum and Skeletal Tunneling of Tropolone." Journal of Chemical Physics 122:224311. PNNL-SA-41670. doi.org/10.1063/1.1897367

2004

  • Benner D.C., T.A. Blake, L.R. Brown, V.M. Devi, M. Smith, and R.A. Toth. 2004. "Air-Broadening Parameters in the n3 Band of 14N16O2 Using a Multispectrum Fitting Technique." Journal of Molecular Spectroscopy 228, no. 2:593-619. PNNL-SA-43795. doi.org/10.1016/j.jms.2004.07.006
  • Goss L.M., C.D. Mortensen, and T.A. Blake. 2004. "Rotationally Resolved Spectroscopy of the n8 Band of cis-Methyl Nitrite." Journal of Molecular Spectroscopy 225, no. 2:182-188. PNNL-SA-39626. doi.org/10.1016/j.jms.2004.02.024
  • Maki A.G., T.A. Blake, R.L. Sams, J. Frieh, J.B. Barber, T. Masiello, and E. Chrysostom, et al. 2004. "Analysis of Some Combination-Overtone Infrared Bands of 32S16O3." Journal of Molecular Spectroscopy 225, no. 2:109-122. PNNL-SA-41805. doi.org/10.1016/j.jms.2004.02.008
  • Masiello T., J.B. Barber, E. Chrysostom, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2004. "Analysis of High-Resolution Infrared and CARS Spectra of 34S18O3." Journal of Molecular Spectroscopy 223, no. 1:84-95. PNNL-SA-39401. doi.org/10.1016/j.jms.2003.09.010
  • Masiello T., N. Vulpanovici, J.B. Barber, E. Chrysostom, J.W. Nibler, A. Maki, and T.A. Blake, et al. 2004. "Analysis of High-Resolution Infrared and CARS Spectra of 32S18O3." Journal of Molecular Spectroscopy 227, no. 1:50-59. PNNL-SA-40935. doi.org/10.1016/j.jms.2004.05.007

2003

  • Barber J.B., E. Chrysostom, T. Masiello, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2003. "Analysis of the n2, n4 Infrared Hot Bands and n1 CARS Spectrum of 34S16O3." Journal of Molecular Spectroscopy 218, no. 2:204-212. PNNL-SA-38044. doi.org/10.1016/S0022-2852(03)00035-3
  • Barber J.B., T. Masiello, E. Chrysostom, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2003. "High Resolution Infrared Studies of the n2, n4 Bands of 34S16O3, Including Both Intensity and Wavenumber Perturbations." Journal of Molecular Spectroscopy 218, no. 2:197-203. PNNL-SA-38039. doi.org/10.1016/S0022-2852(02)00051-6
  • Chackerian C., S.W. Sharpe, and T.A. Blake. 2003. "Anhydrous Nitric Acid Integrated Absorption Cross Sections: 820 - 5300 cm-1." Journal of Quantitative Spectroscopy and Radiative Transfer 82, no. 1-4:p. 429-441. PNNL-SA-37875. doi.org/10.1016/S0022-4073(03)00168-7
  • Sharpe S.W., T.A. Blake, R.L. Sams, A. Maki, A. Masiello, J.B. Barber, and N. Vulpanovici, et al. 2003. "The n2 and 2n3 Bands of 32S16O3, 32S18O3, 34S16O3 and 34S18O3. "Journal of Molecular Spectroscopy 222, no. 2:142-152. PNNL-SA-37992. doi.org/10.1016/j.jms.2003.08.001

2002

  • Barber J.B., E. Chrysostom, T. Masiello, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2002. "Analysis of n2, n4 Infrared Hot Bands of 32S16O3: Resolution of the Puzzle of the n1 CARS Spectrum." Journal of Molecular Spectroscopy 216, no. 1:105-112. PNNL-SA-36309. doi.org/10.1006/jmsp.2002.8646
  • Blake T.A., and P.L. Gassman. 2002. "Detection of Soil Surface Contaminants by Infrared Reflection Spectroscopy." In Vibrational Spectroscopy-based Sensor Systems, Proceedings of the SPIE, edited by S.D. Christensen, A.J. Sedlacek, 4577, 239-261. Bellingham, Washington:SPIE-International Society of Optical Engineering. PNNL-SA-36389. doi.org/10.1117/12.455743
  • Blake T.A., J.F. Kelly, T.L. Stewart, J.S. Hartman, S.W. Sharpe, and R.L. Sams. 2002. "Absorption Spectroscopy in Hollow-Glass Waveguides Using Infrared Diode Lasers [4817-25]." In Diode Lasers and Applications in Atmospheric Sensing: Proceedings of SPIE--the International Society for Optical Engineering: 10-11 July 2002, Seattle, USA, edited by Alan Fried, 4817, 216-232. Bellingham, Washington:SPIE - the International Society for Optical Engineering. PNNL-SA-36612. doi.org/10.1117/12.453761
  • Johnson T.J., R.L. Sams, T.A. Blake, S.W. Sharpe, and P.M. Chu. 2002. "Removing Aperture-Induced Artifacts from Fourier Transform Infrared Intensity Values." Applied Optics 41, no. 15:2831-2839. PNNL-SA-35176. doi.org/10.1364/AO.41.002831
  • Kelly J.F., R.S. Disselkamp, R.L. Sams, T.A. Blake, S.W. Sharpe, D. Richter, and A. Fried. 2002. "Optimization of cw-QC Lasers for Doppler and sub-Doppler Molecular Spectroscopy." In Diode Lasers and Applications in Atmospheric Sensing: 10-11 July 2002, Seattle, Wash.; SPIE proceedings series, edited by Fried, A., 4817, 43-72. Bellingham, Washington:Int. Society Optical Engineering. PNNL-SA-37024. doi.org/10.1117/12.452124

2001

  • Chrysostom E., N. Vulpanovici, A. Masiello, J.B. Barber, J.W. Nibler, A. Weber, and A. Maki, et al. 2001. "Coherent Raman and Infrared Studies of Sulfur Trioxide." Journal of Molecular Spectroscopy 210, no. 2:233-239. PNNL-SA-34955. doi.org/10.1006/jmsp.2001.8463
  • Maki A.G., T.A. Blake, R.L. Sams, N. Vulpanovici, J.B. Barber, E. Chrysostom, and T. Masiello, et al. 2001. "High Resolution Infrared Spectra of the n2, n3, n4 and 2n3 Bands of 32S16O3." Journal of Molecular Spectroscopy 210. PNNL-SA-35117. doi.org/10.1006/jmsp.2001.8454
  • Sams R.L., T.A. Blake, and S.W. Sharpe. 2001. "Cool Spectroscopy Using High Resolution Fourier Transform Infrared Spectroscopy." In Fourier Transform Spectroscopy, OSA Trends in Optics and Photonics, edited by A. Sawchuk, 51, paper FThB2. Washington DC, District Of Columbia:Optical Society of America. PNNL-SA-33750. doi.org/10.1364/FTS.2001.FThB2

2000

  • Blake T.A., S.W. Sharpe, and S.S. Xantheas. 2000. "Rotationally Resolved Spectroscopy of a Librational Fundamental Band of Hydrogen Fluoride Tetramer." Journal of Chemical Physics 113, no. 2:707-718. PNNL-SA-32713. doi.org/10.1063/1.481846
  • Lafferty W., J. Flaud, R.L. Sams, T.A. Blake, and S.W. Sharpe. 2000. "High-Resolution Infrared Spectrum of the Ring-Puckering Band, n10, of Diborane." Journal of Molecular Spectroscopy 201, no. 2:285-291. PNNL-SA-32522. doi.org/10.1006/jmsp.2000.8095

1999

  • Goss L.M., S.W. Sharpe, T.A. Blake, V. Vaida, and J.W. Brault. 1999. "Direct Absorption Spectroscopy of Water Clusters." Journal of Physical Chemistry A 103, no. 43:8620-8624. PNNL-SA-30425. doi.org/10.1021/jp9920702

1998

  • Sams R.L., T.A. Blake, S.W. Sharpe, J. Flaud, and W.J. Lafferty. 1998. "High Resolution Infrared Study of the n14, n17 and n18 bands of 11B2H6 and 10B11BH6. " Journal of Molecular Spectroscopy 191, no. 2:331-342. PNNL-SA-29763. doi.org/10.1006/jmsp.1998.7649

1996

  • Sharpe S.W., S. Xu, R.S. McDowell, and T.A. Blake. 1996. "Tunable Diode Lasers and their Application in Cold Molecular Beam Spectroscopy." In Application of Tunable Diode and Other Infrared Sources for Atmospheric Studies and Industrial Process Monitoring: Proceedings of the SPIE, August 4-9, 1996, Denver, CO, edited by A. Fried, 2834, 91-101. Bellingham, Washington:SPIE. PNNL-SA-27828. doi:10.1117/12.255314
  • Xu S., T.A. Blake, and S.W. Sharpe. 1996. "High-Resolution Infrared Spectroscopy of the n4 Fundamental Band of Chlorine Nitrate." Journal of Molecular Spectroscopy 175, no. 2:303-314. PNL-SA-26537. doi:10.1006/jmsp.1996.0036