Solid-state Zn-67 NMR Spectroscopic Studies and ab initio Molecular Orbital Calculations on a Synthetic Analogue of Carbonic Anhydrase.

April 2, 2003

Journal Article

Solid-state Zn-67 NMR Spectroscopic Studies and ab initio Molecular Orbital Calculations on a Synthetic Analogue of Carbonic Anhydrase.

Abstract

The tris(pyrazolyl)hydroborato zinc complexes [TpBut,Me]ZnX (where X = Br, Cl, and OH) have been examined by low temperature solid-state 67Zn NMR spectroscopy. The value of the quadrupole coupling constant, Cq, for the zinc increased monotonically with the electronegativity of the bound substituent X, e.g. Br

Revised: April 7, 2011 | Published: April 2, 2003

Citation

Lipton A.S., C. Bergquist, G. Parkin, and P.D. Ellis. 2003. Solid-state Zn-67 NMR Spectroscopic Studies and ab initio Molecular Orbital Calculations on a Synthetic Analogue of Carbonic Anhydrase. Journal of the American Chemical Society 125, no. 13:3768-3772. PNNL-SA-37468.