High-resolution IR spectrum of AsH2D

Ro-vibrational analysis of the bending triad bands ν3, ν4, and ν6

O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, T. D. Chudinova, W. Jerzembeck, H. Bürger

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The infrared spectrum of the AsH2D molecule has been measured in the region of the three bending fundamental bands on a Fourier transform spectrometer with a resolution of 0.0024 cm-1 and analyzed for the first time. More than 7500 normally allowed and in addition about 600 forbidden, but perturbation-activated transitions with Jmax = 21, Kamax = 20 and Kcmax = 21 have been assigned to the bands ν3, ν4, and ν6. The measured transition wavenumbers were used to determine 1047 upper energy values. These energies were fitted with a Watson-type Hamiltonian in A reduction and IIIl representation taking into account resonance interactions between all three bending states, (001000), (000100), and (000001) and led to a physically meaningful set of 25 diagonal and 52 resonance spectroscopic parameters. These reproduce the experimental energies with an rms deviation of 0.00021 cm-1, which is close to the experimental uncertainty.

Original languageEnglish
Pages (from-to)114-122
Number of pages9
JournalJournal of Molecular Spectroscopy
Volume251
Issue number1-2
DOIs
Publication statusPublished - 1 Sep 2008

Fingerprint

Hamiltonians
high resolution
Spectrometers
Fourier transforms
Infrared radiation
Molecules
energy
infrared spectra
spectrometers
deviation
perturbation
molecules
interactions
Uncertainty

Keywords

  • Fundamental bands of AsHD
  • Infrared spectrum
  • Isotopic species of AsH
  • Spectroscopic parameters

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

Cite this

High-resolution IR spectrum of AsH2D : Ro-vibrational analysis of the bending triad bands ν3, ν4, and ν6. / Ulenikov, O. N.; Bekhtereva, E. S.; Gromova, O. V.; Chudinova, T. D.; Jerzembeck, W.; Bürger, H.

In: Journal of Molecular Spectroscopy, Vol. 251, No. 1-2, 01.09.2008, p. 114-122.

Research output: Contribution to journalArticle

@article{254e461b0b374e1c9ce26985a392fb5d,
title = "High-resolution IR spectrum of AsH2D: Ro-vibrational analysis of the bending triad bands ν3, ν4, and ν6",
abstract = "The infrared spectrum of the AsH2D molecule has been measured in the region of the three bending fundamental bands on a Fourier transform spectrometer with a resolution of 0.0024 cm-1 and analyzed for the first time. More than 7500 normally allowed and in addition about 600 forbidden, but perturbation-activated transitions with Jmax = 21, Kamax = 20 and Kcmax = 21 have been assigned to the bands ν3, ν4, and ν6. The measured transition wavenumbers were used to determine 1047 upper energy values. These energies were fitted with a Watson-type Hamiltonian in A reduction and IIIl representation taking into account resonance interactions between all three bending states, (001000), (000100), and (000001) and led to a physically meaningful set of 25 diagonal and 52 resonance spectroscopic parameters. These reproduce the experimental energies with an rms deviation of 0.00021 cm-1, which is close to the experimental uncertainty.",
keywords = "Fundamental bands of AsHD, Infrared spectrum, Isotopic species of AsH, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Gromova, {O. V.} and Chudinova, {T. D.} and W. Jerzembeck and H. B{\"u}rger",
year = "2008",
month = "9",
day = "1",
doi = "10.1016/j.jms.2008.02.002",
language = "English",
volume = "251",
pages = "114--122",
journal = "Journal of Molecular Spectroscopy",
issn = "0022-2852",
publisher = "Academic Press Inc.",
number = "1-2",

}

TY - JOUR

T1 - High-resolution IR spectrum of AsH2D

T2 - Ro-vibrational analysis of the bending triad bands ν3, ν4, and ν6

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Gromova, O. V.

AU - Chudinova, T. D.

AU - Jerzembeck, W.

AU - Bürger, H.

PY - 2008/9/1

Y1 - 2008/9/1

N2 - The infrared spectrum of the AsH2D molecule has been measured in the region of the three bending fundamental bands on a Fourier transform spectrometer with a resolution of 0.0024 cm-1 and analyzed for the first time. More than 7500 normally allowed and in addition about 600 forbidden, but perturbation-activated transitions with Jmax = 21, Kamax = 20 and Kcmax = 21 have been assigned to the bands ν3, ν4, and ν6. The measured transition wavenumbers were used to determine 1047 upper energy values. These energies were fitted with a Watson-type Hamiltonian in A reduction and IIIl representation taking into account resonance interactions between all three bending states, (001000), (000100), and (000001) and led to a physically meaningful set of 25 diagonal and 52 resonance spectroscopic parameters. These reproduce the experimental energies with an rms deviation of 0.00021 cm-1, which is close to the experimental uncertainty.

AB - The infrared spectrum of the AsH2D molecule has been measured in the region of the three bending fundamental bands on a Fourier transform spectrometer with a resolution of 0.0024 cm-1 and analyzed for the first time. More than 7500 normally allowed and in addition about 600 forbidden, but perturbation-activated transitions with Jmax = 21, Kamax = 20 and Kcmax = 21 have been assigned to the bands ν3, ν4, and ν6. The measured transition wavenumbers were used to determine 1047 upper energy values. These energies were fitted with a Watson-type Hamiltonian in A reduction and IIIl representation taking into account resonance interactions between all three bending states, (001000), (000100), and (000001) and led to a physically meaningful set of 25 diagonal and 52 resonance spectroscopic parameters. These reproduce the experimental energies with an rms deviation of 0.00021 cm-1, which is close to the experimental uncertainty.

KW - Fundamental bands of AsHD

KW - Infrared spectrum

KW - Isotopic species of AsH

KW - Spectroscopic parameters

UR - http://www.scopus.com/inward/record.url?scp=50149122598&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=50149122598&partnerID=8YFLogxK

U2 - 10.1016/j.jms.2008.02.002

DO - 10.1016/j.jms.2008.02.002

M3 - Article

VL - 251

SP - 114

EP - 122

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

SN - 0022-2852

IS - 1-2

ER -