Department of Physics, St.- Petersburg State University, Peterhof, St. Petersburg 198504, Russia.
Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 3;117:713-7. doi: 10.1016/j.saa.2013.08.119. Epub 2013 Sep 7.
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.
报道了臭氧和 HCl 在液态氩（86-134 K）中的红外光谱，HCl 的浓度范围为 5×10(-5) 到 9×10(-6) M，臭氧的浓度范围为 1×10(-3) 到 5×10(-5) M。在臭氧和 HCl 的低浓度下，没有发现由于 O3-HCl 络合物而产生的光谱特征。在较高浓度下（臭氧为 1×10(-3)，HCl 为 5×10(-5)-9×10(-6)），观察到一个新的 2840 cm(-1) 附近的带归因于 HCl···O3 络合物。络合物的 νHCl 的 FWHM 为 8 cm(-1)。根据吸收带强度的温度依赖性，估算了络合物形成的焓，ΔH°=4.7±0.4 kJ mole(-1)。通过从头计算确定了 cis-HCl···O3 络合物的优化几何形状和 6.3 kJ mole(-1) 的结合能。
