Chemical Physics Letters, Vol.338, No.1, 61-66, 2001
Substituent effects in X-C C-H center dot center dot center dot NH3 (or OH2, FH) hydrogen bonding
MP2/6-31g(p,d) calculations were performed on the C-H . . .N (or O, F) hydrogen bonding between 18 substituted X-C=C-H and NH3, H2O, and HF. It was found that the Hammett-type correlation was applicable to the above systems, which indicated that the field/inductive and resonance effects could both affect the X-C=C-H . . . NH3 (or H2O, HF) hydrogen bonding.