Ab initio MO study of hydrogen bonding in methyl flouride cyclic trimer. | [Journal of Chemical Society of Pakistan • 1986]

Author(s):

1. Ahmed A. Hasnein: Chemistry Department, Faculty of Science, Alexandria University, Alexandria, Egypt

Abstract:

Ab inito SCF-MO calculations of the interaction energies; changes in electronic charges distributions and dipole moments using the 4-31G and 6-31G basis sets are given for methyl flouride dimer and cyclic trimer. A considerable deviation from additivity in hydrogen bond energies has been found. The importance of this non-pair additivity has been discussed.

Page(s): 149-154

DOI: DOI not available

Published: Journal: Journal of Chemical Society of Pakistan, Volume: 8, Issue: 2, Year: 1986

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