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摘要
The FTIR spectra of fluoroform trapped in argon and nitrogen matrixes are studied at T similar to 10-30 K. The bands of E symmetry show the splitting effect in a nitrogen matrix, which is absent in an argon matrix. The effect is the most prominent in the case of the nu(4) CH bending vibration. It decreases slightly with increasing temperature. Both static and Car-Parrinello molecular dynamic simulations suggest that the degeneracy lifting is due to C-3 nu symmetry lowering caused by interactions between fluoroform and all neighbor N-2 matrix molecules.
- 出版日期2016-5-26
