High resolution study of AsHD2: Ground state and the three bending fundamental bands ν3, ν4, and ν6

O. N. Ulenikov, E. S. Bekhtereva, A. S. Bulavenkova, C. Leroy, W. Jerzembeck, H. Bürger

Результат исследований: Материалы для журналаСтатья

5 Цитирования (Scopus)

Выдержка

For the first time the infrared spectrum of the AsHD2 molecule has been measured in the region of the bending fundamental bands ν3, ν4, and ν6 on a Fourier transform spectrometer with a resolution of 0.0024 cm-1 and analyzed. More than 5500 transitions with Jmax = 26 have been assigned and used both to obtain "ground state combination differences" and for the determination of upper state ro-vibrational energies of the triad (001000), (000100), and (000001). Rotational parameters including centrifugal distortion coefficients up to octic terms of the ground vibrational state were calculated by fitting more than 500 "ground state combination differences" with Jmax and Kamax = 21. The obtained set of 24 parameters provides a rms-deviation of 0.00011 cm-1. The upper energies were fitted with 52 parameters of an effective Hamiltonian which takes into account strong resonance interactions between all vibrational states of the triad (001000), (000100), and (000001). The rms-deviation for the energy levels considered in the fit is 0.00014 cm-1.

Язык оригиналаАнглийский
Страницы (с-по)102-111
Число страниц10
ЖурналJournal of Molecular Spectroscopy
Том240
Номер выпуска1
DOI
СостояниеОпубликовано - 1 ноя 2006

Отпечаток

vibrational states
Ground state
Hamiltonians
ground state
high resolution
Electron energy levels
deviation
Spectrometers
Fourier transforms
Infrared radiation
Molecules
infrared spectra
energy levels
spectrometers
energy
coefficients
molecules
interactions

ASJC Scopus subject areas

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

Цитировать

High resolution study of AsHD2 : Ground state and the three bending fundamental bands ν3, ν4, and ν6. / Ulenikov, O. N.; Bekhtereva, E. S.; Bulavenkova, A. S.; Leroy, C.; Jerzembeck, W.; Bürger, H.

В: Journal of Molecular Spectroscopy, Том 240, № 1, 01.11.2006, стр. 102-111.

Результат исследований: Материалы для журналаСтатья

Ulenikov, O. N. ; Bekhtereva, E. S. ; Bulavenkova, A. S. ; Leroy, C. ; Jerzembeck, W. ; Bürger, H. / High resolution study of AsHD2 : Ground state and the three bending fundamental bands ν3, ν4, and ν6. В: Journal of Molecular Spectroscopy. 2006 ; Том 240, № 1. стр. 102-111.
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AU - Bulavenkova, A. S.

AU - Leroy, C.

AU - Jerzembeck, W.

AU - Bürger, H.

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N2 - For the first time the infrared spectrum of the AsHD2 molecule has been measured in the region of the bending fundamental bands ν3, ν4, and ν6 on a Fourier transform spectrometer with a resolution of 0.0024 cm-1 and analyzed. More than 5500 transitions with Jmax = 26 have been assigned and used both to obtain "ground state combination differences" and for the determination of upper state ro-vibrational energies of the triad (001000), (000100), and (000001). Rotational parameters including centrifugal distortion coefficients up to octic terms of the ground vibrational state were calculated by fitting more than 500 "ground state combination differences" with Jmax and Kamax = 21. The obtained set of 24 parameters provides a rms-deviation of 0.00011 cm-1. The upper energies were fitted with 52 parameters of an effective Hamiltonian which takes into account strong resonance interactions between all vibrational states of the triad (001000), (000100), and (000001). The rms-deviation for the energy levels considered in the fit is 0.00014 cm-1.

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