On the local mode behaviour of the XH2/XD2 and XD/XH fragments with respect to the deuterated species of the near local mode XH 3 (C3v ) molecule

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8 Citations (Scopus)

Abstract

Effect of isotopic substitution in the near local mode, XH3 (C3v), molecules is considered. On that basis it is shown that the spectroscopic properties of deuterated and/or di-deuterated isotopic species of the XH3 (C3v) molecule with the value of interbond angle close to /2 are analogous to the spectroscopic properties of its separate fragments: of a three-atomic local mode 'molecule' XH2/XD2 and of a diatomic XD/XH 'molecule'. The phosphine molecule is considered as an illustration.

Original languageEnglish
Pages (from-to)1409-1416
Number of pages8
JournalMolecular Physics
Volume107
Issue number14
DOIs
Publication statusPublished - 1 Jan 2009

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fragments
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molecules
phosphines
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substitutes

Keywords

  • Isotopic substitution
  • Local mode model
  • Spectroscopic parameters

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

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title = "On the local mode behaviour of the XH2/XD2 and XD/XH fragments with respect to the deuterated species of the near local mode XH 3 (C3v ) molecule",
abstract = "Effect of isotopic substitution in the near local mode, XH3 (C3v), molecules is considered. On that basis it is shown that the spectroscopic properties of deuterated and/or di-deuterated isotopic species of the XH3 (C3v) molecule with the value of interbond angle close to /2 are analogous to the spectroscopic properties of its separate fragments: of a three-atomic local mode 'molecule' XH2/XD2 and of a diatomic XD/XH 'molecule'. The phosphine molecule is considered as an illustration.",
keywords = "Isotopic substitution, Local mode model, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and C. Leroy",
year = "2009",
month = "1",
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doi = "10.1080/00268970902905828",
language = "English",
volume = "107",
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journal = "Molecular Physics",
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TY - JOUR

T1 - On the local mode behaviour of the XH2/XD2 and XD/XH fragments with respect to the deuterated species of the near local mode XH 3 (C3v ) molecule

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Leroy, C.

PY - 2009/1/1

Y1 - 2009/1/1

N2 - Effect of isotopic substitution in the near local mode, XH3 (C3v), molecules is considered. On that basis it is shown that the spectroscopic properties of deuterated and/or di-deuterated isotopic species of the XH3 (C3v) molecule with the value of interbond angle close to /2 are analogous to the spectroscopic properties of its separate fragments: of a three-atomic local mode 'molecule' XH2/XD2 and of a diatomic XD/XH 'molecule'. The phosphine molecule is considered as an illustration.

AB - Effect of isotopic substitution in the near local mode, XH3 (C3v), molecules is considered. On that basis it is shown that the spectroscopic properties of deuterated and/or di-deuterated isotopic species of the XH3 (C3v) molecule with the value of interbond angle close to /2 are analogous to the spectroscopic properties of its separate fragments: of a three-atomic local mode 'molecule' XH2/XD2 and of a diatomic XD/XH 'molecule'. The phosphine molecule is considered as an illustration.

KW - Isotopic substitution

KW - Local mode model

KW - Spectroscopic parameters

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