Issue 24, 1994

Equilibrium geometry and vibrational frequencies of the 1 : 2 van der waals complexes between methyl chloride and hydrogen chloride

Abstract

The equilibrium geometry, relative stability and vibrational frequencies 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.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1994,90, 3601-3607

Equilibrium geometry and vibrational frequencies of the 1 : 2 van der waals complexes between methyl chloride and hydrogen chloride

W. A. Herrebout and B. J. van der Veken, J. Chem. Soc., Faraday Trans., 1994, 90, 3601 DOI: 10.1039/FT9949003601

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