title: Vibrational spectra and structure of CH3Cl:H2O, CH3Cl:HDO, and CH3Cl:D2O complexes. IR matrix isolation and ab initio calculations.
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.
authors.affiliation: LADIR/CNRS UMR 7075, Université Pierre et Marie Curie, Bat F74, case 49, 4 place Jussieu, 75252 Paris, Cedex 05, France.
authors.forename: Nadia
authors.initials: N
authors.lastname: Dozova
authors.forename: Lahouari
authors.initials: L
authors.lastname: Krim
authors.forename: M Esmaïl
authors.initials: ME
authors.lastname: Alikhani
authors.forename: Nelly
authors.initials: N
authors.lastname: Lacome