Substituent effects in XCCH⋯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.