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Infrared absorption spectrum of matrix-isolated noble-gas hydride molecules: Fingerprints of specific interactions and hindered rotation.
- Source :
- Journal of Chemical Physics; 1/1/2005, Vol. 122 Issue 1, p014510, 7p, 1 Diagram, 1 Chart, 7 Graphs
- Publication Year :
- 2005
-
Abstract
- Noble-gas hydride molecules with the general formula HNgY (Ng denotes noble-gas atom and Y denotes electronegative fragment) are usually prepared in solid noble gases. In many cases, the matrix-isolated HNgY molecules show a characteristic structure of the H–Ng stretching absorption: A close doublet as the main spectral feature and a weaker satellite at higher energy. This characteristic band structure is studied here for matrix-isolated HXeBr and HKrCl molecules. Based on the experimental and theoretical results, we suggest a model explaining the common features of the band structure of the HNgY molecules in noble-gas matrices. In this model, the main doublet bands are attributed to matrix sites where the splitting is caused by specific interactions of the embedded molecule with noble-gas matrix atoms in certain local morphology. The weaker blueshifted band is probably a fingerprint of hindered rotation (libration) of the embedded molecule in the lattice. This librational band has a mirror counterpart at lower energies appearing at higher matrix temperatures. Our present ab initio calculations for the one-to-one Xe...HXeBr complexes and the simulation of hindered rotation in a matrix support this image. © 2005 American Institute of Physics. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 122
- Issue :
- 1
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 15495549
- Full Text :
- https://doi.org/10.1063/1.1827592