Development of the Dipole Moment and Polarizability Operators of Octahedral Molecules

Cheblal, N; Loëte, M.; Boudon, Vincent

doi:10.1006/jmsp.1999.7902

Cited by 55 publications

(50 citation statements)

References 21 publications

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“…It uses the formalism developed in Dijon for octahedral XY 6 molecules in the O(3) ⊃ O h group chain [33,34,35]. Such a formalism, together with vibrational extrapolation methods described for instance in [34,35,36], is implemented in the D 2h TDS program suite [37,38].…”

Section: Theoretical Detailsmentioning

confidence: 99%

High-resolution spectroscopy and preliminary global analysis of C–H stretching vibrations of C2H4 in the 3000 and 6000cm−1 regions

Gonzalez¹,

Boudon²,

Loëte³

et al. 2010

Journal of Quantitative Spectroscopy and Radiative Transfer

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Ethylene (ethene, H 2 C=CH 2 ) is a naturally occurring compound in ambient air that affects atmospheric chemistry and global climate. The C 2 H 4 spectrum is available in databases only for the 1000 and 3000 cm −1 ranges.In this work, the ethylene absorption spectrum was measured in the 6030-6250 cm −1 range with the use of a high resolution Bruker IFS 125HR Fourierspectrometer and a two-channel opto-acoustic spectrometer with a diode laser. * To whom correspondence should be addressed. E-mail: Vincent.Boudon@u-bourgogne.fr. As a secondary standard of wavelengths, the methane absorption spectrum was used in both cases. A preliminary analysis was realized thanks to the tensorial formalism developed by the Dijon group that is implemented in the XTDS software package [Ch. Wenger, V. Boudon, M. Rotger, J.-P. Champion and M. Sanzharov, J. Mol. Spectrosc., 251, 102-113 (2008).]. We considered the two combination bands ν 5 + ν 9 and ν 5 + ν 11 as an interacting dyad. Parameters for the ν 9 /ν 11 dyad were fitted simultaneously from a re-analysis of previously recorded supersonic expansion jet FTIR data, while parameters for the v 5 = 1 Raman level were taken from literature. More than 600 lines could be assigned in the 6030-6250 cm −1 region (and also 682 in the 2950-3150 cm −1 region) and effective Hamiltonian parameters were fitted, including Coriolis interaction parameters. The dyad features are globally quite well reproduced, even if there are still problems at high J values.

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Section: Theoretical Detailsmentioning

confidence: 99%

High-resolution spectroscopy and preliminary global analysis of C–H stretching vibrations of C2H4 in the 3000 and 6000cm−1 regions

Gonzalez¹,

Boudon²,

Loëte³

et al. 2010

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…In this equation the are the parameters and the are the rovibrational operators defined as follows: (3) Where: (4) are rotational operators of degree and are vibrational operators of degree . The order of is defined as .…”

Section: -1mentioning

confidence: 99%

“…In this work, we present the first prediction of the combination band of 34 SF 6 , used the tensorial formalism and vibrational extrapolation methods developed in Dijon. These methods have been already explained for example in [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%

A preliminary prediction of the (ν2 + ν4) combination band of 34SF6

Meskine¹,

Ouardi²,

Kaarour³

2015

AIP Conference Proceedings

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“…As it has also been detailed in Ref. (2), octahedral molecules form an important family of spherical top species and XY 5 Z (C 4v ) molecules can be derived from these spherical tops by the substitution of one ligand. Their rovibrational spectroscopy is quite unknown, since one only finds microwave data or low-resolution vibrational studies in the literature (3,4).…”

Section: Introductionmentioning

confidence: 98%

Spectroscopy of XY5Z (C4v) Molecules: Development of the Hamiltonian and the Transition Moment Operators Using a Tensorial Formalism

Rotger¹,

Boudon²,

Loëte³

2000

Journal of Molecular Spectroscopy

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Development of the Dipole Moment and Polarizability Operators of Octahedral Molecules

Cited by 55 publications

References 21 publications

High-resolution spectroscopy and preliminary global analysis of C–H stretching vibrations of C2H4 in the 3000 and 6000cm−1 regions

High-resolution spectroscopy and preliminary global analysis of C–H stretching vibrations of C2H4 in the 3000 and 6000cm−1 regions

A preliminary prediction of the (ν2 + ν4) combination band of 34SF6

Spectroscopy of XY5Z (C4v) Molecules: Development of the Hamiltonian and the Transition Moment Operators Using a Tensorial Formalism

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