期刊
POLYHEDRON
卷 32, 期 1, 页码 41-48出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.poly.2011.08.015
关键词
Carbonic anhydrase; Zinc; Hydroxide; Bicarbonate
资金
- United Technologies Research Center (UTHECHC) [1162214]
- U.S Department of Energy's Office of APRA-E [DE-AR0000023]
Low temperature H-1 and C-13 NMR spectroscopic studies on solutions of the tris(3-t-butyl-5-methylpyrazolyl)hydroborato zinc hydroxide complex [Tp(But,Me)]ZnOH in the presence of CO2 have allowed for the identification of the bicarbonate moiety of [Tp(But,Me)]ZnOCO2H. For example, the bicarbonate ligand is characterized by H-1 and C-13 NMR spectroscopic signals at 13.2 and 161.9 ppm, respectively, in d(2)-dichloromethane solution at 189 K. Both [Tp(But,Me)]ZnOH and [Tp(But,Me)]ZnOCO2H may be observed in equilibrium in the presence of <1 atm of CO2 at 217 K, thereby allowing measurement of the equilibrium constant for insertion of CO2 into the Zn-OH bond. At 217 K, the equilibrium constant for formation of the bicarbonate complex is 6 +/- 2 x 10(3) M-1, corresponding to a value of Delta G = -3.8 +/- 0.2 kcal mol(-1). (c) 2011 Elsevier Ltd. All rights reserved.
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