DOI

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.

Язык оригиналаанглийский
Страницы (с-по)3497-3503
Число страниц7
ЖурналJournal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory
Том120
Номер выпуска20
DOI
СостояниеОпубликовано - 26 мая 2016

    Предметные области Scopus

  • Физическая и теоретическая химия

ID: 7568456