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On the relative stabilities of H- And D-bonded water dimers

Engdahl, Anders LU and Nelander, Bengt LU (1987) In The Journal of chemical physics 86(4). p.1819-1823
Abstract

The infrared spectra of water dimers formed from H2O, D 2O, and HDO in krypton matrices have been recorded. Thermal equilibria between H- and D-bonded dimers have been studied. D bonding is preferred, and H-bonded dimers are approximately 60 cm-1 less stable than D-bonded dimers. The energy difference seems to be due to the higher value of the intermolecular out-of-plane H-bond shear vibration compared to the corresponding D-bond vibration.

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author
and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of chemical physics
volume
86
issue
4
pages
5 pages
publisher
American Institute of Physics (AIP)
external identifiers
  • scopus:36549096855
ISSN
0021-9606
DOI
10.1063/1.452182
language
English
LU publication?
yes
additional info
Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
id
3b113612-b964-4c22-9f83-74141be4fe1b
date added to LUP
2021-03-29 15:20:45
date last changed
2025-10-14 09:50:22
@article{3b113612-b964-4c22-9f83-74141be4fe1b,
  abstract     = {{<p>The infrared spectra of water dimers formed from H<sub>2</sub>O, D <sub>2</sub>O, and HDO in krypton matrices have been recorded. Thermal equilibria between H- and D-bonded dimers have been studied. D bonding is preferred, and H-bonded dimers are approximately 60 cm<sup>-1</sup> less stable than D-bonded dimers. The energy difference seems to be due to the higher value of the intermolecular out-of-plane H-bond shear vibration compared to the corresponding D-bond vibration.</p>}},
  author       = {{Engdahl, Anders and Nelander, Bengt}},
  issn         = {{0021-9606}},
  language     = {{eng}},
  month        = {{02}},
  number       = {{4}},
  pages        = {{1819--1823}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{The Journal of chemical physics}},
  title        = {{On the relative stabilities of H- And D-bonded water dimers}},
  url          = {{http://dx.doi.org/10.1063/1.452182}},
  doi          = {{10.1063/1.452182}},
  volume       = {{86}},
  year         = {{1987}},
}