The FTIR spectra of fluoroform trapped in argon and nitrogen matrixes are studied at T 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 μ4 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 C3v symmetry lowering caused by interactions between fluoroform and all neighbor N2 matrix molecules.

Original languageEnglish
Pages (from-to)3497-3503
Number of pages7
JournalJournal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory
Volume120
Issue number20
DOIs
StatePublished - 26 May 2016

    Scopus subject areas

  • Physical and Theoretical Chemistry

ID: 7568456