TY - JOUR
T1 - Substituent effects in X-CC-HNH3 (or OH2 , FH) hydrogen bonding
AU - Chen, Rong
AU - Zhang, Ke Chun
AU - Liu, Lei
AU - Li, Xiao Song
AU - Guo, Qing Xiang
N1 - Funding Information:
We are grateful to the NSFC for the financial support. We also thank Prof. H.B. Schlegel of Wayne State University for his helpful suggestions.
PY - 2001/4/13
Y1 - 2001/4/13
N2 - MP2/6-31g(p,d) calculations were performed on the C-HN (or O, F) hydrogen bonding between 18 substituted X-CC-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-CC-HNH3 (or H2O, HF) hydrogen bonding.
AB - MP2/6-31g(p,d) calculations were performed on the C-HN (or O, F) hydrogen bonding between 18 substituted X-CC-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-CC-HNH3 (or H2O, HF) hydrogen bonding.
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U2 - 10.1016/S0009-2614(01)00195-6
DO - 10.1016/S0009-2614(01)00195-6
M3 - Article
AN - SCOPUS:0011127099
SN - 0009-2614
VL - 338
SP - 61
EP - 66
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1
ER -