Chemist
Chemist

Biography

Aaron Appel is an inorganic chemist with broad interests in chemical reactivity, electrochemistry, and catalysis. He is the team leader for Molecular Catalysis in the Catalysis Science Group within the Physical and Computational Sciences Directorate. His fundamental science research has two primary areas of emphasis: thermodynamic studies of discreet bond forming and bond breaking events, and the design and testing of complexes and catalysts based on the resulting thermodynamic data. This approach has been applied to a variety of transformations, including those of H2 and CO2.

Appel's primary areas of expertise are thermochemical measurements, electrochemistry, catalyst design, synthetic chemistry, and small molecule spectroscopy. He also has a background in CO2 capture research, particularly in developing new methods with higher energy efficiency, such as electrochemically switchable CO2 capture.

Visit Appel’s Google Scholar page.

Research Interest

  • Electrochemistry: Utilizing electrochemistry for the conversion of electrical energy to chemical energy through electrocatalysis. Controlled substrate binding using electrochemical switching, including CO2 capture and concentration. Hydrogen production and utilization and CO2 capture, concentration, and conversion are all of interest.
  • Fundamental thermodynamic studies of bond strengths: Determining bond strengths using thermodynamic cycles through the study of equilibria and electrochemical processes, particularly as related to catalysis, energy, and fuels.
  • Synthetic inorganic and organometallic chemistry: Synthesizing relevant species to catalysis and electrocatalysis, particularly for fuel production and utilization. Characterizing synthetic species by electrochemistry, mass spectrometry, nuclear magnetic resonance (NMR), electron paramagnetic resonance, and other applicable techniques.

Disciplines and Skills

  • Carbon capture
  • Catalysis
  • Chemical synthesis
  • Electrocatalysis
  • Electrochemistry
  • Inorganic chemistry
  • NMR
  • Project management
  • Proposal management
  • Synthetic chemistry
  • Team leadership
  • Thermodynamics

Education

  • PhD in chemistry, University of Colorado, Boulder
  • BS in chemistry, Washington State University

Affiliations and Professional Service

  • American Chemical Society
  • International Scientific Committee for the International Conference on Carbon Dioxide Utilization

Publications

2023

  • Galan, B. R., J. O. Bigelow, W. G. Dougherty, W. S. Kassel, E. B. Hulley, M. L. Helm, M. Rakowski DuBois, A. M. Appel, and J. C. Linehan. 2023. "Operando Mechanistic Studies of CO2 Hydrogenation by Ruthenium Complexes using High-Pressure NMR Spectroscopy." ACS Catalysis 13 (23): 15611–15619. PNNL-SA-184605. https://doi.org/10.1021/acscatal.3c03908.

2022

  • Gunasekara, B., Y. Tong, A. L. Speelman, J. D. Erickson, A. M. Appel, M. B. Hall, and E. S. Wiedner. 2022. "Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex." ACS Catalysis 12 (5): 2729–2740. PNNL-SA-168765. https://doi.org/10.1021/acscatal.1c05509.
  • Speelman, A. L., J. B. Gerken, S. P. Heins, E. S. Wiedner, S. S. Stahl, and A. M. Appel. 2022. "Determining Overpotentials for the Oxidation of Alcohols by Molecular Electrocatalysts in Non-aqueous Solvents." Energy & Environmental Science 15 (10): 4015–4024. PNNL-SA-170546. https://doi.org/10.1039/D2EE01458K.
  • Wiedner, E. S., A. M. Appel, S. Raugei, W. J. Shaw, and R. M. Bullock. 2022. "Molecular Catalysts with Diphosphine Ligands Containing Pendant Amines." Chemical Reviews 122 (14): 12427–12474. PNNL-SA-168825. https://doi.org/10.1021/acs.chemrev.1c01001.

2021

  • Heins, S. P., P. E. Schneider, A. L. Speelman, S. Hammes-Schiffer, and A. M. Appel. 2021. "Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes." ACS Catalysis 11 (11): 6384–6389. PNNL-SA-153759. https://doi.org/10.1021/acscatal.1c00781.
  • Persaud, R., Z. Fang, C. M. Zall, A. M. Appel, and D. A. Dixon. 2021. "Computational Study of Triphosphine-Ligated Cu(I) Catalysts for Hydrogenation of CO2 to Formate." Journal of Physical Chemistry A 125 (30): 6600–6610. PNNL-SA-161706. https://doi.org/10.1021/acs.jpca.1c04050.
  • Wiedner, E. S., A. Z. Preston, M. L. Helm, and A. M. Appel. 2021. "Thermodynamic Trends for Reduction of CO by Molecular Complexes." Organometallics 40 (13): 2039–2050. PNNL-SA-160715. https://doi.org/10.1021/acs.organomet.1c00178.

2020

  • Dunn, P. L., B. J. Cook, S. Johnson, A. M. Appel, and R. M. Bullock. 2020. "Oxidation of Ammonia with Molecular Complexes." Journal of the American Chemical Society 142 (42): 17845–17858. PNNL-SA-155069. https://doi.org/10.1021/jacs.0c08269.
  • Mcneill, A. S., C. Zhan, A. M. Appel, D. M. Stanbury, and D. A. Dixon. 2020. "The H·/H- Redox Couple and Absolute Hydration Energy of H-." Journal of Physical Chemistry A 124 (29): 6084–6095. PNNL-SA-153024. https://doi.org/10.1021/acs.jpca.0c03833.
  • Pegis, M. L., J. A. Roberts, D. J. Wasylenko, E. A. Mader, A. M. Appel, and J. M. Mayer. 2020. "Correction to Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N,N-Dimethylformamide." Inorganic Chemistry 59 (12): 8638. PNNL-SA-153221. https://doi.org/10.1021/acs.inorgchem.0c01435.
  • Zhang, S., H. Li, A. M. Appel, M. B. Hall, and R. M. Bullock. 2020. "Controlling P-C/C-H Bond Cleavage in Nickel Bis(diphosphine) Complexes: Reactivity Scope, Mechanism, and Computations." Organometallics 39 (18): 3306–3314. PNNL-SA-140527. https://doi.org/10.1021/acs.organomet.0c00388.

2019

  • Cammarota, R. C., J. Xie, S. A. Burgess, M. V. Vollmer, K. Vogiatzis, J. Ye, J. C. Linehan, A. M. Appel, C. Hoffman, X. Wang, V. G. Young Jr., and C. C. Lu. 2019. "Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(n2-H2) Adduct." Chemical Science 10 (29): 7029–7042. PNNL-SA-142777. https://doi.org/10.1039/C9SC02018G.

2018

  • Dutta, A., A. M. Appel, and W. J. Shaw. 2018. "Designing electrochemically reversible H2 oxidation/production catalysts." Nature Reviews Chemistry 2 (9): 244–252. PNNL-SA-136318. https://doi.org/10.1038/s41570-018-0032-8.

2017

  • Bullock, R. M., A. K. Das, and A. M. Appel. 2017. "Surface Immobilization of Molecular Electrocatalysts for Energy Conversions." Chemistry – A European Journal 23 (32): 7626–7641. PNNL-SA-121541. https://doi.org/10.1002/chem.201605066.
  • Burgess, S. A., A. J. Kendall, D. R. Tyler, D. R. Tyler, J. C. Linehan, and A. M. Appel. 2017. "Hydrogenation of CO2 in Water Using a Bis(Diphosphine) Ni-H Complex." ACS Catalysis 7 (4): 3089–3096. PNNL-SA-123128. https://doi.org/10.1021/acscatal.7b00350.
  • Burgess, S. A., A. M. Appel, J. C. Linehan, and E. S. Wiedner. 2017. "Changing the Mechanism for CO2 Hydrogenation Using Solvent-Dependent Thermodynamics." Angewandte Chemie International Edition 56 (47): 15002–15005. PNNL-SA-128948. https://doi.org/10.1002/anie.201709319.
  • Burgess, S. A., K. Grubel, A. M. Appel, E. S. Wiedner, and J. C. Linehan. 2017. "Hydrogenation of CO2 at Room Temperature and Low Pressure with a Cobalt Tetraphosphine Catalyst." Inorganic Chemistry 56 (14): 8580–8589. PNNL-SA-124385. https://doi.org/10.1021/acs.inorgchem.7b01391.
  • Cammarota, R. C., M. V. Vollmer, J. Xie, J. Ye, J. C. Linehan, S. A. Burgess, A. M. Appel, L. Gagliardi, and C. C. Lu. 2017. "A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d10 nickel-hydride." Journal of the American Chemical Society 139 (40): 14244–14250. PNNL-SA-127919. https://doi.org/10.1021/jacs.7b07911.
  • Jeletic, M. S., E. Hulley, M. L. Helm, M. T. Mock, A. M. Appel, E. S. Wiedner, and J. C. Linehan. 2017. "Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis." ACS Catalysis 7 (9): 6008–6017. PNNL-SA-125045. https://doi.org/10.1021/acscatal.7b01673.
  • Klug, C., M. J. O'Hagan, R. M. Bullock, A. M. Appel, and E. S. Wiedner. 2017. "Impact of Weak Agostic Interactions in Nickel Electrocatalysts for Hydrogen Oxidation." Organometallics 36 (12): 2275–2284. PNNL-SA-123737. https://doi.org/10.1021/acs.organomet.7b00103.
  • Zhang, S., A. M. Appel, and R. M. Bullock. 2017. "Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride." Journal of the American Chemical Society 139 (21): 7376–7387. PNNL-SA-125042. https://doi.org/10.1021/jacs.7b03053.

2016

  • Cardenas, A. J., B. Ginovska-Pangovska, N. Kumar, J. Hou, S. Raugei, M. L. Helm, and A. M. Appel, R. M. Bullock, and M. O’Hagan. 2016. "Controlling Proton Delivery with Catalyst Structural Dynamics." Angewandte Chemie International Edition 55 (43): 13509–13513. PNNL-SA-115082. https://doi.org/10.1002/anie.201607460.
  • Connelly, S. J., C. M. Zall, D. L. Miller, J. C. Linehan, and A. M. Appel. 2016. "Solvent Influence on the Thermodynamics for Hydride Transfer from Bis(diphosphine) Complexes of Nickel." Dalton Transactions 45 (24): 10017–10023. PNNL-SA-111204. https://doi.org/10.1039/C6DT00309E.
  • Lindley, B. M., A. M. Appel, K. Krogh-Jespersen, J. M. Mayer, and A. J. Miller. 2016. "Evaluating the Thermodynamics of Electrocatalytic N2 Reduction in Acetonitrile." ACS Energy Letters 1 (4): 698–704. PNNL-SA-119958. https://doi.org/10.1021/acsenergylett.6b00319.
  • Raugei, S., M. L. Helm, S. Hammes-Schiffer, A. M. Appel, M. J. O'Hagan, E. S. Wiedner, and R. M. Bullock. 2016. "Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen." Inorganic Chemistry 55 (2): 445–460. PNNL-SA-113594. https://doi.org/10.1021/acs.inorgchem.5b02262.
  • Raugei, S., M. L. Helm, S. Hammes-Schiffer, A. M. Appel, M. J. O'Hagan, E. S. Wiedner, and R. M. Bullock. 2016. "Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen." Inorganic Chemistry 55 (2): 445–460. PNNL-SA-114545. https://doi.org/10.1021/acs.inorgchem.5b02262.
  • Wiedner, E. S., M. B. Chambers, C. L. Pitman, R. M. Bullock, A. J. Miller, and A. M. Appel. 2016. "Thermodynamic Hydricity of Transition Metal Hydrides." Chemical Reviews 116 (15): 8655–8692. PNNL-SA-116484. https://doi.org/10.1021/acs.chemrev.6b00168.
  • Zall, C. M., A. M. Appel, and J. C. Linehan. 2016. "Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies." Journal of the American Chemical Society 138 (31): 9968–9977. PNNL-SA-117835. https://doi.org/10.1021/jacs.6b05349.
  • Zhang, S., H. Li, A. M. Appel, M. B. Hall, and R. M. Bullock. 2016. "Facile P-C/C-H Bond-Cleavage Reactivity of Nickel Bis(diphosphine) Complexes." Chemistry – A European Journal 22 (28): 9493–9497. PNNL-SA-115898. https://doi.org/10.1002/chem.201601469.

2015

  • Connelly, S. J., E. S. Wiedner, and A. M. Appel. 2015. "Predicting the Reactivity of Hydride Donors in Water: Thermodynamic Constants for Hydrogen." Dalton Transactions 44 (13): 5933–5938. PNNL-SA-105710. https://doi.org/10.1039/C4DT03841J.
  • Miller, D. L., B. J. Boro, K. Grubel, M. L. Helm, and A. M. Appel. 2015. "Synthesis and Characterization of a New TRIPHOS Ligand Derivative and the Corresponding Pd(II) Complexes." European Journal of Inorganic Chemistry 2015 (35): 5781–5785. PNNL-SA-111376. https://doi.org/10.1002/ejic.201500791.
  • Pegis, M. L., J. A. Roberts, D. J. Wasylenko, E. A. Mader, A. M. Appel, and J. M. Mayer. 2015. "Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N,N-Dimethylformamide." Inorganic Chemistry 54 (24): 11883–118/88. PNNL-SA-111283. https://doi.org/10.1021/acs.inorgchem.5b02136.
  • Peterson, S. M., M. L. Helm, and A. M. Appel. 2015. "Nickel Complexes of a Binucleating Ligand Derived from an SCS Pincer." Dalton Transactions 44 (2): 747–752. PNNL-SA-104617. https://doi.org/10.1039/C4DT02718C.
  • Weiss, C. J., E. S. Wiedner, J. A. Roberts, and A. M. Appel. 2015. "Nickel Phosphine Catalysts with Pendant Amines for Electrocatalytic Oxidation of Alcohols." Chemical Communications 51 (28): 6172–6174. PNNL-SA-107999. https://doi.org/10.1039/C5CC01107H.
  • Zall, C. M., J. C. Linehan, and A. M. Appel. 2015. "Molecular Copper Catalyst for Hydrogenation of CO2 to Formate." ACS Catalysis 5 (9): 5301–5305. PNNL-SA-110891. https://doi.org/10.1021/acscatal.5b01646.

2014

  • Appel, A. M. 2014. "Carbon-Fuelled Future." Chemistry and Industry 78 (4): 36–39. PNNL-SA-100705. https://doi.org/10.1002/cind.784_11.x.
  • Appel, A. M. 2014. "Electrochemistry: Catalysis at the boundaries." Nature 508: 460–461. PNNL-SA-101718. https://doi.org/10.1038/nature13226.
  • Appel, A. M., and M. L. Helm. 2014. "Determining the Overpotential for a Molecular Electrocatalyst." ACS Catalysis 4 (2): 630–633. PNNL-SA-99198. https://doi.org/10.1021/cs401013v.
  • Bullock, R. M., A. M. Appel, and M. L. Helm. 2014. "Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides." Chemical Communications 50 (24): 3125–3143. PNNL-SA-97704. https://doi.org/10.1039/C3CC46135A.
  • Galan, B. R., E. S. Wiedner, M. L. Helm, J. C. Linehan, and A. M. Appel. 2014. "Effects of Phosphine-Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes." Organometallics 33(9): 2287–2294. PNNL-SA-97196. https://doi.org/10.1021/om500206e.
  • Jeletic, M. S., M. L. Helm, E. B. Hulley, M. T. Mock, A. M. Appel, and J. C. Linehan. 2014. "A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation." ACS Catalysis 4 (10): 3755–3762. PNNL-SA-103938. https://doi.org/10.1021/cs5009927.
  • Kumar, N., D. M. Camaioni, M. Dupuis, S. Raugei, and A. M. Appel. 2014. "Mechanistic Insights into Hydride Transfer for Catalytic Hydrogenation of CO2 with Cobalt Complexes." Dalton Transactions 43 (31): 11803–11806. PNNL-SA-101141. https://doi.org/10.1039/C4DT01551G.
  • Lercher, J. A., A. M. Appel, T. Autrey, R. M. Bullock, D. M. Camaioni, H. M. Cho, and D. A. Dixon, et al. 2014. "Multifunctional Catalysts to Synthesize and Utilize Energy Carriers." In Frontiers at the Interface between Homogeneous and Heterogeneous Catalysis, II, 207–219. Washington, D.C.: U.S. Department of Energy, Office of Science. PNNL-SA-103068.
  • Weiss, C. J., P. Das, D. Higgins, M. L. Helm, and A. M. Appel. 2014. "Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines." ACS Catalysis 4 (9): 2951–2958. PNNL-SA-101717. https://doi.org/10.1021/cs500853f.
  • Wiedner, E. S., and A. M. Appel. 2014. "Thermochemical Insight into the Reduction of CO to CH3OH with [Re(CO)]+ and [Mn(CO)]+ Complexes." Journal of the American Chemical Society 136 (24): 8661–8668. PNNL-SA-101312. https://doi.org/10.1021/ja502316e.

2013

  • Appel, A. M., J. E. Bercaw, A. B. Bocarsly, H. Dobbek, D. L. DuBois, M. Dupuis, and J. G. Ferry, et al. 2013. "Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2." Chemical Reviews 113 (8): 6621–6658. PNNL-SA-92184. https://doi.org/10.1021/cr300463y.
  • Franz, J. A., M. J. O'Hagan, M. Ho, T. L. Liu, M. L. Helm, S. Lense, D. L. DuBois, W. J. Shaw, A. M. Appel, S. Raugei, and R. M. Bullock. 2013. "Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation." Organometallics 32 (23): 7034–7042. PNNL-SA-97203. https://doi.org/10.1021/om400695w.
  • Galan, B. R., M. L. Reback, A. Jain, A. M. Appel, and W. J. Shaw. 2013. "Electrocatalytic Oxidation of Formate with Nickel Diphosphane Dipeptide Complexes: Effect of Ligands Modified with Amino Acids." European Journal of Inorganic Chemistry 2013 (30): 5366–5371. PNNL-SA-96292. https://doi.org/10.1002/ejic.201300751.
  • Hoffert, W. A., M. T. Mock, A. M. Appel, and J. Y. Yang. 2013. "Incorporation of Hydrogen Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water Oxidation Catalysts." European Journal of Inorganic Chemistry 2013 (22-23): 3846–3857. PNNL-SA-89420. https://doi.org/10.1002/ejic.201201499.
  • Horvath, S., L. Fernandez, A. M. Appel, and S. Hammes-Schiffer. 2013. "pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts." Inorganic Chemistry 52 (7): 3643–3652. PNNL-SA-89871. https://doi.org/10.1021/ic302056j.
  • Hulley, E. B., K. D. Welch, A. M. Appel, D. L. DuBois, and R. M. Bullock. 2013. "Rapid, Reversible Heterolytic Cleavage of Bound H2." Journal of the American Chemical Society 135 (32): 11736–11739. PNNL-SA-94418. https://doi.org/10.1021/ja405755j.
  • Jeletic, M. S., M. T. Mock, A. M. Appel, and J. C. Linehan. 2013. "A Cobalt-based Catalyst for CO2 Hydrogenation Under Ambient Conditions." Journal of the American Chemical Society 135 (31): 11533–11536. PNNL-SA-94778. https://doi.org/10.1021/ja406601v.
  • Wiedner, E. S., A. M. Appel, D. L. DuBois, and R. M. Bullock. 2013. "Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines." Inorganic Chemistry 52 (24): 14391–14403. PNNL-SA-98467. https://doi.org/10.1021/ic4025475.

2012

  • Jain, A., M. L. Reback, M. L. Lindstrom, C. E. Thogerson, M. L. Helm, A. M. Appel, and W. J. Shaw. 2012. "Investigating the Role of the Outer-Coordination Sphere in [Ni(PPh2NPh-R2)2]2+ Hydrogenase Mimics." Inorganic Chemistry 51 (12): 6592–6602. PNNL-SA-85188. https://doi.org/10.1021/ic300149x.
  • Lense, S., M.-H. Ho, S. Chen, A. Jain, S. Raugei, J. C. Linehan, J. A. S. Roberts, A. M. Appel, and W. Shaw. 2012. "Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base." Organometallics 31 (19): 6719–6731. PNNL-SA-87812. https://doi.org/10.1021/om300409y.
  • O'Hagan, M., M.-H. Ho, J. Y. Yang, A. M. Appel, M. Rakowski DuBois, S. Raugei, W. J. Shaw, D. L. DuBois, and R. M. Bullock. 2012. "Proton Delivery and Removal in [Ni(PR2NR′2)2]2+ Hydrogen Production and Oxidation Catalysts." Journal of the American Chemical Society 134 (47): 19409–19424. PNNL-SA-88737. https://doi.org/10.1021/ja307413x.
  • Seu, C. S., A. M. Appel, M. D. Doud, D. L. DuBois, and C. P. Kubiak. 2012. "Formate oxidation via ß-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes." Energy & Environmental Science 5 (4): 6480–6490. PNNL-SA-84203. https://doi.org/10.1039/C2EE03341K.

2011

  • Appel, A. M., D. H. Pool, M. J. O'Hagan, W. J. Shaw, J. Y. Yang, M. Rakowski DuBois, and D. L. DuBois, and R. M. Bullock. 2011. "[Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1 (7): 777–785. PNNL-SA-77921. https://doi.org/10.1021/cs2000939.
  • Galan, B. R., J. Schoffel, J. C. Linehan, C. Seu, A. M. Appel, J. A. Roberts, M. L. Helm, U. J. Kilgore, J. Y. Yang, D. L. DuBois, and C. P. Kubiak. 2011. "Electrocatalytic Oxidation of Formate by [Ni(PR2NR`2)2(CH3CN)]2+ Complexes." Journal of the American Chemical Society 113 (35): 12767–12779. PNNL-SA-77812. https://doi.org/10.1021/ja204489e.
  • Kilgore, U. J., J. A. Roberts, D. H. Pool, A. M. Appel, M. P. Stewart, M. Rakowski DuBois, W. G. Dougherty, W. S. Kassel, R. M. Bullock, and D. L. DuBois. 2011. "[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates." Journal of the American Chemical Society 133 (15): 5861–5872. PNNL-SA-76108. https://doi.org/10.1021/ja109755f.
  • Roberts, J. A. S., A. M. Appel, D. L. DuBois, and R. M. Bullock. 2011. "Comprehensive Thermochemistry of W-H Bonding in the Metal Hydrides CpW(CO)2(IMes)H, [CpW(CO)2(IMes)H]·+, and [CpW(CO)2(IMes)(H)2]+. Influence of an N-Heterocyclic Carbene Ligand on Metal Hydride Bond Energies." Journal of the American Chemical Society 133 (37): 14604–14613. PNNL-SA-78855. https://doi.org/10.1021/ja202830w.

2009

  • Appel, A. M., S.-J. Lee, J. A. Franz, D. L. DuBois, and M. Rakowski DuBois. 2009. "Free Energy Landscapes for S-H Bonds in Cp*2Mo2S4 Complexes." Journal of the American Chemical Society 131 (14): 5224–5232. PNNL-SA-63520. https://doi.org/10.1021/ja8093179.
  • Appel, A. M., S. Lee, J. A. Franz, D. L. DuBois, M. Rakowski DuBois, and B. Twamley. 2009. "Determination of S-H Bond Strengths in Dimolybdenum Tetrasulfide Complexes." Organometallics 28 (3): 749–754. PNNL-SA-61722.
  • Franz, J. A., S. Lee, T. A. Bowden, M. S. Alnajjar, A. M. Appel, J. C. Birnbaum, and T. E. Bitterwolf, et al. 2009. "Activation of the S-H Group in Fe(µ2-SH)Fe Clusters: S-H Bond Strengths and Free Radical Reactivity of the Fe(µ2-SH)Fe Cluster." Journal of the American Chemical Society 131 (42): 15212–15224. PNNL-SA-66979.

2008

  • Appel, A. M., S. Lee, J. A. Franz, D. L. DuBois, M. Rakowski DuBois, J. C. Birnbaum, and B. Twamley. 2008. "Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex." Journal of the American Chemical Society 130 (28): 8940–8951. PNNL-SA-57391. https://doi.org/10.1021/ja078115r.
  • Holladay, J. E., H. M. Brown, A. M. Appel, and Z. C. Zhang. 2008. "Novel Hydride Transfer Catalysis for Carbohydrate Conversions." In Proceedings of the 22nd Conference on Catalysis of Organic Reactions, edited by M. L. Prunier, 123, 411–418. Boca Raton, Florida: CRC Press. PNNL-SA-58413.

2007

  • Fraze, K., K. Fraze, A. Wilson, A. Wilson, A. M. Appel, M. Rakowski DuBois, and D. L. DuBois. 2007. "Thermodynamic Properties of the Ni-H Bond in Complexes of the Type [HNi(P2RN2R')2](BF4) and Evaluation of Factors that Control Catalytic Activity for Hydrogen Oxidation/Production." Organometallics 26 (16): 3918–3924. PNNL-SA-53931. https://doi.org/10.1021/om070143v.