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

• Anders Engdahl

  Division of Thermochemistry, Chemical Center, University of Lund, Box 124, S-221 00 Lund, Sweden

• Bengt Nelander

  Division of Thermochemistry, Chemical Center, University of Lund, Box 124, S-221 00 Lund, Sweden

抄録

The infrared spectra of water dimers formed from H2O, D2O, 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.

収録刊行物

• The Journal of Chemical Physics

  The Journal of Chemical Physics 86 (4), 1819-1823, 1987-02-15

  AIP Publishing

キーワード

• Physical and Theoretical Chemistry
• General Physics and Astronomy

詳細情報

• CRID: 1361981468777567744
• NII論文ID: 30015657059
• DOI: 10.1063/1.452182
• ISSN: 10897690
• ISSN: 00219606
• Web Site: https://pubs.aip.org/aip/jcp/article-pdf/86/4/1819/18963750/1819_1_online.pdf
• データソース種別:
  • Crossref
  • CiNii Articles