Solvent effect on the blue shifted weakly H-bound F3 CH…FCD3 complex |
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Authors: | KS Rutkowski SM Melikova P Rodziewicz WA Herrebout BJ van der Veken A Koll |
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Institution: | aInstitute of Physics, St. Petersburg University, Uljanovskaja 1, 198904 St. Petersburg, Russian Federation;bFaculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw, Poland;cDepartment of Chemistry, University of Antwerp, Groenenborgelaan 171, B-2020 Antwerp, Belgium |
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Abstract: | Solvent effect on the νc frequency of CH stretching vibration of the blue shifted F3CH…FCD3 complex has been studied in liquefied N2, CO, Ar, Kr and Xe. In the case of Xe, the spectroscopic measurements have also been extended to the solid state. It was found that the νc position of the complex in the solutions studied lowers with respect to the value in the gas phase. In liquid Xe, characterized by the largest permittivity, this effect reaches its maximum value of −14.5 cm−1. The νc frequency begins to grow again just below the freezing point of Xe, where a noticeable ( 15%) increase of the density of Xe occurs. The experimental results obtained for the liquid phase have been analyzed in the framework of the Onsager-like reaction field model and Polarizable Continuum Model (PCM) implemented into a standard Gaussian 98 Program. |
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Keywords: | Blue shifted H bond IR spectra Solvent effect F3CH… FCD3 complex |
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