Vibrational spectra and structure of CH3Cl:H2O, CH3Cl:HDO, and CH3Cl:D2O complexes. IR matrix isolation and ab initio calculations |
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Authors: | Dozova Nadia Krim Lahouari Alikhani M Esmaïl Lacome Nelly |
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Affiliation: | LADIR/CNRS UMR 7075, Université Pierre et Marie Curie, Bat F74, case 49, 4 place Jussieu, 75252 Paris, Cedex 05, France. |
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Abstract: | The infrared spectra of CH3Cl + H2O isolated in solid neon at low temperatures have been investigated. The CH3Cl + H2O system is remarkable because of its propensity to form CH3Cl:H2O and CH3Cl:(H2O)n (n > or = 2) complexes. We focus here on the CH3Cl:H2O species. Low concentration studies (0.01-0.5%) and subsequent annealing lead to formation of the 1:1 CH3Cl:H2O complex with O-H. . .Cl-C or O. . .H-C intermolecular hydrogen bonds. Vibrational modes of this complex have been detected. In addition, spectra of D2O + CH3Cl and HDO + CH3Cl have also been recorded. A detailed vibrational analysis of partially deuterated species shows that HDO is exclusively D bonded to CH3Cl. This is a consequence of the preference for HDO to form a deuterium bonding complex rather than a hydrogen bonding one. |
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