EQUILIBRIUM GEOMETRY END VIBRATIONAL FREQUENCIES OF THE 1 2 VAN-DER-WAALS COMPLEXES BETWEEN METHYL-CHLORIDE AND HYDROGEN-CHLORIDE/

Authors
HERREBOUT WA VANDERVEKEN BJ
Citation
Wa. Herrebout et Bj. Vanderveken, EQUILIBRIUM GEOMETRY END VIBRATIONAL FREQUENCIES OF THE 1 2 VAN-DER-WAALS COMPLEXES BETWEEN METHYL-CHLORIDE AND HYDROGEN-CHLORIDE/, Journal of the Chemical Society. Faraday transactions, 90(24), 1994, pp. 3601-3607
Citations number
16
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Journal of the Chemical Society. Faraday transactions → ACNP
ISSN journal
09565000
Volume
90
Issue
24
Year of publication
1994
Pages
3601 - 3607
Database
ISI
SICI code
0956-5000(1994)90:24<3601:EGEVFO>2.0.ZU;2-6
Abstract
The equilibrium geometry, relative stability and vibrational frequenci es for the 1:2 van der Waals complexes between CH3Cl and HCl have been investigated using MP2/6-31 + G* ab initio calculations. The results are used to interpret the IR spectrum of the 1:2 complex observed in solutions of CD3Cl-HCl mixtures dissolved in liquefied argon, and show that in these solutions the chain complex CD3Cl.HCl.HCl is formed.