IR absorption spectrum of molecules trapped in matrices. I. The libron-phonon coupling in 1D
- 28 August 1976
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 9 (16) , 3121-3139
- https://doi.org/10.1088/0022-3719/9/16/018
Abstract
Theoretical expressions are obtained for the infrared absorption coefficient of a one-dimensional monoatomic lattice containing one diatomic substitutional impurity. The diatomic molecule interacts with the environment introducing high rotational barriers that reduce the molecular rotation to a libration coupled to the host-lattice vibrations (libron-phonon coupling). This is equivalent to the explicit consideration of static and dynamic interactions on the lineshape function. Numerical results of the absorption coefficient of CO trapped in linear chains of Ne, Ar, Kr and Xe interacting via molecular-pair potentials are discussed. The near-infrared spectrum is qualitatively in agreement with the measured vibrational frequencies.Keywords
This publication has 29 references indexed in Scilit:
- Infrared absorption spectra of carbon monoxide in rare gas matricesChemical Physics, 1976
- Interatomic potentials and phonon spectra of dilute rare-gas mixturesThe Journal of Chemical Physics, 1974
- An application of Green's functions to the study of the vibration‐translation coupling of trapped oscillators in a linear chainInternational Journal of Quantum Chemistry, 1973
- Infrared spectra of carbon monoxide trapped in solid argon. Double-doping experiments with H2O, NH3 and N2Chemical Physics Letters, 1972
- Infra-red cryogenic studies. Part 8.—Carbon monoxide in matricesJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1972
- Phonon Scattering by Line DefectsPhysical Review B, 1971
- Theory of correlations and scattering of lattice vibrations by defects using double-time Green's functionsProceedings of the Physical Society, 1964
- The vibrations of an atom of different mass in a cubic crystalProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1963
- Theory of Optical Absorption by Vibrations of Defects in SiliconProceedings of the Physical Society, 1963
- The rotation of molecules in fields of octahedral symmetryProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1936