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Title
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Infrared-spectra, relative stability, and ab-initio calculations of the cd3cl-center-dot-hcl van-der-waals complex observed in liquefied argon
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Author
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Abstract
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| The mid-infrared (4000-400 cm-1) and far-infrared (300-10 cm-1) spectra of several methyl-d3 chloride/hydrogen chloride mixtures, dissolved in liquefied argon (95-117 K) are discussed. In all spectra, experimental evidence was found for the existence of a 1:1 van der Waals complex. By use of a temperature study, the complexation enthalpy of the CD3Cl.HCl complex was determined to be -7.8 +/- 0.4 kJ mol-1. At higher concentrations of HCl a new absorption band is observed which has to be assigned to a 1:2 bonded complex. Ab initio calculations at the HF/6-31G** level show that the angular geometry of the CD3Cl.HCl species is similar to the geometry of the HCl dimer, i.e. that the complex has an approximate L-shape, in which the electron acceptor HCl molecule is bonded through its hydrogen atom to the chlorine atom of the electron donor methyl-d3 chloride molecule. |
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Language
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English
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Source (journal)
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The journal of physical chemistry. - Washington, D.C., 1952 - 1996
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Publication
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Washington, D.C.
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1993
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ISSN
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0022-3654
[print]
1541-5740
[online]
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DOI
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10.1021/J100143A017
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Volume/pages
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97
:41
(1993)
, p. 10622-10629
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ISI
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A1993MC03100017
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Full text (Publisher's DOI)
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