On the relative stabilities of H- And D-bonded water dimers
(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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https://lup.lub.lu.se/record/3b113612-b964-4c22-9f83-74141be4fe1b
- author
- Engdahl, Anders LU and Nelander, Bengt LU
- organization
- publishing date
- 1987-02-15
- 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
- 2021-05-09 03:02:58
@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}}, }