Citation
R. Cheng et al., Substituent effects in X-C C-H center dot center dot center dot NH3 (or OH2, FH) hydrogen bonding, CHEM P LETT, 338(1), 2001, pp. 61-66
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614
→ ACNP
Volume
338
Issue
1
Year of publication
2001
Pages
61 - 66
Database
ISI
SICI code
0009-2614(20010413)338:1<61:SEIX>2.0.ZU;2-2
Abstract
MP2/6-31g(p,d) calculations were performed on the C-H . . .N (or O, F) hydr
ogen bonding between 18 substituted X-C=C-H and NH3, H2O, and HF. It was fo
und that the Hammett-type correlation was applicable to the above systems,
which indicated that the field/inductive and resonance effects could both a
ffect the X-C=C-H . . . NH3 (or H2O, HF) hydrogen bonding. (C) 2001 Elsevie
r Science B.V. All rights reserved.