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Rotation of Water in Solid Parahydrogen and Orthodeuterium.

Ceponkus, J; Uvdal, Per LU and Nelander, Bengt LU (2010) In Journal of physical chemistry. A 114. p.12979-12985
Abstract
The far-infrared spectra of solid orthodeuterium and solid normal deuterium are presented and compared to the corresponding spectra of solid parahydrogen and solid normal hydrogen. Spectra of water in orthodeuterium are compared to spectra of water in parahydrogen. The water rotation constants in orthodeuterium are approximately 80% of the rotation constants of water in parahydrogen. The S(0)(0) band of orthodeuterium gets a strong satellite in the presence of water. The position and width of the satellite depends on the isotopic composition of the water present. If there is a corresponding satellite in parahydrogen it is weak and closer to the S(0)(0) band of the matrix. The conclusion of the paper is that interaction between guest... (More)
The far-infrared spectra of solid orthodeuterium and solid normal deuterium are presented and compared to the corresponding spectra of solid parahydrogen and solid normal hydrogen. Spectra of water in orthodeuterium are compared to spectra of water in parahydrogen. The water rotation constants in orthodeuterium are approximately 80% of the rotation constants of water in parahydrogen. The S(0)(0) band of orthodeuterium gets a strong satellite in the presence of water. The position and width of the satellite depends on the isotopic composition of the water present. If there is a corresponding satellite in parahydrogen it is weak and closer to the S(0)(0) band of the matrix. The conclusion of the paper is that interaction between guest rotation and the rotation of matrix molecules must be taken into account to explain the reduction of the rotation constants in orthodeuterium. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of physical chemistry. A
volume
114
pages
12979 - 12985
publisher
The American Chemical Society
external identifiers
  • wos:000285236500003
  • pmid:21105735
  • scopus:78650372668
ISSN
1520-5215
DOI
10.1021/jp105303z
language
English
LU publication?
yes
id
e567b449-4959-4bff-a582-0519dbc6e183 (old id 1731568)
date added to LUP
2010-12-15 12:19:05
date last changed
2018-05-29 11:28:53
@article{e567b449-4959-4bff-a582-0519dbc6e183,
  abstract     = {The far-infrared spectra of solid orthodeuterium and solid normal deuterium are presented and compared to the corresponding spectra of solid parahydrogen and solid normal hydrogen. Spectra of water in orthodeuterium are compared to spectra of water in parahydrogen. The water rotation constants in orthodeuterium are approximately 80% of the rotation constants of water in parahydrogen. The S(0)(0) band of orthodeuterium gets a strong satellite in the presence of water. The position and width of the satellite depends on the isotopic composition of the water present. If there is a corresponding satellite in parahydrogen it is weak and closer to the S(0)(0) band of the matrix. The conclusion of the paper is that interaction between guest rotation and the rotation of matrix molecules must be taken into account to explain the reduction of the rotation constants in orthodeuterium.},
  author       = {Ceponkus, J and Uvdal, Per and Nelander, Bengt},
  issn         = {1520-5215},
  language     = {eng},
  pages        = {12979--12985},
  publisher    = {The American Chemical Society},
  series       = {Journal of physical chemistry. A},
  title        = {Rotation of Water in Solid Parahydrogen and Orthodeuterium.},
  url          = {http://dx.doi.org/10.1021/jp105303z},
  volume       = {114},
  year         = {2010},
}