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.
Предметные области Scopus
- Структурная биология
- Органическая химия
- Физическая и теоретическая химия
- Атомная и молекулярная физика и оптика
- Материаловедение (разное)