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Water Tetramer, Pentamer, and Hexamer in Inert Matrices

Ceponkus, J.; Uvdal, Per LU and Nelander, Bengt LU (2012) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 116(20). p.4842-4850
Abstract
The infrared spectrum of water, isolated in inert matrices, has been studied in the interval from 60 to 4000 cm(-1). Experiments with partially deuterated water combined with DFT (density functional theory) calculations have been used to investigate the structure of matrix-isolated water tetramer. A few, strong intermolecular fundamentals of the water tetramer have been observed. Mid-infrared bands due to deuterated pentamers and hexamers have been observed and are used to discuss the assignments of these water clusters.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
volume
116
issue
20
pages
4842 - 4850
publisher
The American Chemical Society
external identifiers
  • wos:000304338600004
  • scopus:84861513909
ISSN
1520-5215
DOI
10.1021/jp301521b
language
English
LU publication?
yes
id
ae94c80a-a592-4fea-a9c2-4a628654b6ca (old id 2799799)
date added to LUP
2012-06-25 12:32:31
date last changed
2017-10-01 04:03:05
@article{ae94c80a-a592-4fea-a9c2-4a628654b6ca,
  abstract     = {The infrared spectrum of water, isolated in inert matrices, has been studied in the interval from 60 to 4000 cm(-1). Experiments with partially deuterated water combined with DFT (density functional theory) calculations have been used to investigate the structure of matrix-isolated water tetramer. A few, strong intermolecular fundamentals of the water tetramer have been observed. Mid-infrared bands due to deuterated pentamers and hexamers have been observed and are used to discuss the assignments of these water clusters.},
  author       = {Ceponkus, J. and Uvdal, Per and Nelander, Bengt},
  issn         = {1520-5215},
  language     = {eng},
  number       = {20},
  pages        = {4842--4850},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory},
  title        = {Water Tetramer, Pentamer, and Hexamer in Inert Matrices},
  url          = {http://dx.doi.org/10.1021/jp301521b},
  volume       = {116},
  year         = {2012},
}