title: Degeneracy Lifting Effect in the FTIR Spectrum of Fluoroform Trapped in a Nitrogen Matrix. An Experimental and Car-Parrinello Molecular Dynamics Study.
abstract: 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 ν4 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.
authors.affiliation: Department of Physics, Saint Petersburg State University , 7/9 Universitetskaya Nab., 199034 Saint Petersburg, Russian Federation.
authors.forename: Ruslan E
authors.initials: RE
authors.lastname: Asfin
authors.affiliation: Department of Physics, Saint Petersburg State University , 7/9 Universitetskaya Nab., 199034 Saint Petersburg, Russian Federation.
authors.forename: Sona M
authors.initials: SM
authors.lastname: Melikova
authors.affiliation: Department of Chemistry, University of Helsinki , P.O. Box 55, FIN-00014 Helsinki, Finland.
authors.forename: Alexandra V
authors.initials: AV
authors.lastname: Domanskaya
authors.affiliation: Institute of Chemistry, University of Bialystok , Ciolkowskiego 1K, 15-245 Bialystok, Poland.
authors.forename: Paweł
authors.initials: P
authors.lastname: Rodziewicz
authors.affiliation: Department of Physics, Saint Petersburg State University , 7/9 Universitetskaya Nab., 199034 Saint Petersburg, Russian Federation.
authors.forename: Konstantin S
authors.initials: KS
authors.lastname: Rutkowski