Microwave spectra, electric dipole moment, and molecular structure of 1, 1, 2, 2-tetrafluorocyclopropane

RN Beauchamp, CW Gillies…

Index: Beauchamp, R. N.; Gillies, C. W.; Craig, N. C. Journal of the American Chemical Society, 1987 , vol. 109, # 6 p. 1696 - 1701

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Citation Number: 16

Abstract

Conclusions With a constant nucleophile, the experimental LG order, C1-> F-SH-> OH-> H-, and tendency toward inversion, C1-> F-SH-> OH-> H-, are reflected in the context of these calculations by (1) an increase in overlap population of the Si-LG bond, CI-< F< SH-< OH-< H-(Figure 2), and (2), with the exception of SH-, a decrease in apicophilicity of the LG (Figure 3). For example, with Nu= H-, the apicophilicity decreases in the order CI-> SH-> F> OH-> ...