Theory of Gas-Phase Acidity (Ⅱ)——the Effect of the Strength of the Bond Linking the Hydrogen

Abstract

Abstract: CNDO/2 study of neutral and cationic HH, CH, NH, FH, SiH, PH, SH, and CIHacids shows that acidity relates to the strength of the bontl linking the acidic hydrogen as well as the charge of the hydrogen. Using diatomic contribution to energy as a measure of bond strength, we performed linearly regressions of depr'otonation energy with respect to hydrogen charge and the diatomic contribution to energy. The correlation is good in the case of cationic acids and worse in the, case of neutral acids.

Key words: Gas-phase acidity, Deprotonation energy, Bond strength, CNDO/2

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Chen Zhixing . Theory of Gas-Phase Acidity (Ⅱ)——the Effect of the Strength of the Bond Linking the Hydrogen[J]. Chem. J. Chinese Universities, 1988, 9(5): 531.

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Theory of Gas-Phase Acidity (Ⅱ)——the Effect of the Strength of the Bond Linking the Hydrogen

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