Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 102-111 |
| Number of pages | 10 |
| Journal | Journal of Molecular Spectroscopy |
| Volume | 240 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 1 Nov 2006 |
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Keywords
- AsH
- Fundamental bands
- Infrared spectrum
- Isotopic species
- Spectroscopic parameters
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Spectroscopy
- Physical and Theoretical Chemistry
Cite this
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.
In: Journal of Molecular Spectroscopy, Vol. 240, No. 1, 01.11.2006, p. 102-111.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - High resolution study of AsHD2
T2 - Ground state and the three bending fundamental bands ν3, ν4, and ν6
AU - Ulenikov, O. N.
AU - Bekhtereva, E. S.
AU - Bulavenkova, A. S.
AU - Leroy, C.
AU - Jerzembeck, W.
AU - Bürger, H.
PY - 2006/11/1
Y1 - 2006/11/1
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.
AB - 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.
KW - AsH
KW - Fundamental bands
KW - Infrared spectrum
KW - Isotopic species
KW - Spectroscopic parameters
UR - http://www.scopus.com/inward/record.url?scp=33751002033&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33751002033&partnerID=8YFLogxK
U2 - 10.1016/j.jms.2006.09.005
DO - 10.1016/j.jms.2006.09.005
M3 - Article
AN - SCOPUS:33751002033
VL - 240
SP - 102
EP - 111
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
SN - 0022-2852
IS - 1
ER -