Isotope substitution in the expanded local mode approach: XH2 → XHD molecules

O. N. Ulenikov, I. M. Olekhnovitch

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.

Original languageEnglish
Pages (from-to)1337-1345
Number of pages9
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume54
Issue number10
DOIs
Publication statusPublished - 1 Jan 1998

Fingerprint

Hamiltonians
Isotopes
Substitution reactions
isotopes
substitutes
Atoms
Molecules
molecules
symmetry
coefficients
atoms

Keywords

  • Expanded local mode approach
  • Isotope substitution

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

Isotope substitution in the expanded local mode approach : XH2 → XHD molecules. / Ulenikov, O. N.; Olekhnovitch, I. M.

In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 54, No. 10, 01.01.1998, p. 1337-1345.

Research output: Contribution to journalArticle

@article{d529d71b9e024c7ba3abf208734bd393,
title = "Isotope substitution in the expanded local mode approach: XH2 → XHD molecules",
abstract = "In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.",
keywords = "Expanded local mode approach, Isotope substitution",
author = "Ulenikov, {O. N.} and Olekhnovitch, {I. M.}",
year = "1998",
month = "1",
day = "1",
doi = "10.1016/S1386-1425(98)00037-7",
language = "English",
volume = "54",
pages = "1337--1345",
journal = "Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy",
issn = "1386-1425",
publisher = "Elsevier",
number = "10",

}

TY - JOUR

T1 - Isotope substitution in the expanded local mode approach

T2 - XH2 → XHD molecules

AU - Ulenikov, O. N.

AU - Olekhnovitch, I. M.

PY - 1998/1/1

Y1 - 1998/1/1

N2 - In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.

AB - In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.

KW - Expanded local mode approach

KW - Isotope substitution

UR - http://www.scopus.com/inward/record.url?scp=0348117264&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0348117264&partnerID=8YFLogxK

U2 - 10.1016/S1386-1425(98)00037-7

DO - 10.1016/S1386-1425(98)00037-7

M3 - Article

AN - SCOPUS:0348117264

VL - 54

SP - 1337

EP - 1345

JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

SN - 1386-1425

IS - 10

ER -