IR spectroscopic study of the HCl⋯O3 molecular complex in liquid argon
| Autor: | Wouter A. Herrebout, К.М. Bulanin, V.P. Bulychev, D.N. Schepkin |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
Ozone
Spectrophotometry Infrared Binding energy Enthalpy Analytical chemistry Infrared spectroscopy Atomic and Molecular Physics and Optics Analytical Chemistry Chemistry chemistry.chemical_compound Full width at half maximum chemistry Absorption band Ab initio quantum chemistry methods Solvents Thermodynamics Computer Simulation Hydrochloric Acid Argon Hydrogen chloride Instrumentation Spectroscopy |
| Zdroj: | Spectrochimica acta: part A: molecular and biomolecular spectroscopy |
| ISSN: | 1386-1425 |
| DOI: | 10.1016/j.saa.2013.08.119 |
| Popis: | Infrared spectra are reported of ozone and HCl dissolved in liquid argon (86-134 K) at concentrations varying from 5 x 10(-5) to 9 x 10(-6) M for HCl, and from 1 x 10(-3) to 5 x 10(-5) M for ozone. At low concentrations of O-3 and of HCl, no spectral features due to O-3-HCl complex were found. At higher concentrations (1 x 10(-3) of ozone vs 5 x 10(-5)-9 x 10(-6) of HCl), a new band near 2840 cm(-1) due to the HCl center dot center dot center dot O-3 complex was observed. FWHM of nu(HCl) of the complex is 8 cm(-1). From the temperature dependence of the absorption band intensity, the enthalpy of the complex formation was estimated, Delta H degrees = 4.7 +/- 0.4 kJ mole(-1). The optimized geometry of the cis-HCl center dot center dot center dot O-3 complex and a value of 6.3 kJ mole(-1) for its binding energy were determined by ab initio calculations. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved. |
| Databáze: | OpenAIRE |
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