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Solvent-solute hydrogen bonding in dilute solutions of CN - and CH 3 CN in water and methanol

✍ Scribed by Ferrario, Mauro; McDonald, Ian R.; Symons, Martyn C.R.

Book ID
127361726
Publisher
Taylor and Francis Group
Year
1992
Tongue
English
Weight
637 KB
Volume
77
Category
Article
ISSN
0026-8976

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Hydrogen bonding in HCN…HF, HCN…HCl, CH3
Hydrogen bonding in HCN…HF, HCN…HCl, CH3CN…HF and CH3CN…HC1; an ab initio SCF-MO study
✍ Alan Hinchliffe πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science βš– 411 KB

Large scale gaussian orbital SCF-MO results are reported for the title hydrogen-bonded complexes. Calculated R(N...H) distances, hydrogen bond dissociation energies and the change in electric dipole moment on complex formation agree well with the results obtained from microwave studies in all cases