title: IR spectroscopic study of the HCl···O3 molecular complex in liquid argon.
abstract: Infrared spectra are reported of ozone and HCl dissolved in liquid argon (86-134 K) at concentrations varying from 5×10(-5) to 9×10(-6) M for HCl, and from 1×10(-3) to 5×10(-5) M for ozone. At low concentrations of O3 and of HCl, no spectral features due to O3-HCl complex were found. At higher concentrations (1×10(-3) of ozone vs 5×10(-5)-9×10(-6) of HCl), a new band near 2840 cm(-1) due to the HCl···O3 complex was observed. FWHM of νHCl of the complex is 8 cm(-1). From the temperature dependence of the absorption band intensity, the enthalpy of the complex formation was estimated, ΔH°=4.7±0.4 kJ mole(-1). The optimized geometry of the cis-HCl···O3 complex and a value of 6.3 kJ mole(-1) for its binding energy were determined by ab initio calculations.
authors.affiliation: Department of Physics, St.- Petersburg State University, Peterhof, St. Petersburg 198504, Russia. Electronic address: kbulanin@mail.ru.
authors.forename: Capital Ka Cyrillic М
authors.initials: CK
authors.lastname: Bulanin
authors.forename: V P
authors.initials: VP
authors.lastname: Bulychev
authors.forename: W
authors.initials: W
authors.lastname: Herrebout
authors.forename: D N
authors.initials: DN
authors.lastname: Schepkin
mesh_terms: D001128:Argon / Q000737:chemistry*; D003198:Computer Simulation; D006851:Hydrochloric Acid / Q000737:chemistry*; D010126:Ozone / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D013816:Thermodynamics
chemical_list: D012997:Solvents; D010126:Ozone; D001128:Argon; D006851:Hydrochloric Acid
keywords: Cryospectroscopy; FT-IR spectroscopy; Hydrogen chloride; Molecular complexes; Ozone