Water Tetramer, Pentamer, and Hexamer in Inert Matrices
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2799799
- author
- Ceponkus, J. ; Uvdal, Per LU and Nelander, Bengt LU
- organization
- publishing date
- 2012
- 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}}, }