화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.109, No.45, 10273-10279, 2005
Vibrational spectra and structure of CH3Cl : H2O, CH3Cl : HDO, and CH3Cl : complexes. IR matrix isolation and ab initio calculations
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 >= 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-(HCl)-Cl-...-C or (OH)-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.