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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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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 (ACS)
external identifiers
  • wos:000304338600004
  • scopus:84861513909
  • pmid:22533460
ISSN
1520-5215
DOI
10.1021/jp301521b
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
id
ae94c80a-a592-4fea-a9c2-4a628654b6ca (old id 2799799)
date added to LUP
2016-04-01 13:05:37
date last changed
2022-04-06 02:33:57
@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 (ACS)}},
  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}},
  doi          = {{10.1021/jp301521b}},
  volume       = {{116}},
  year         = {{2012}},
}