Journal ArticleDOI
Fourier transform infrared spectroscopic analyses of the v12 fundamentals of C2H4 and C2D4
TLDR
In this paper, high-resolution infrared studies of isotopic ethylenes below 2000 cm −1 were conducted with a Nicolet FTIR spectrometer, and accurate vibration and rotation parameters for the v 12 fundamentals of C 2 H 4 and C 2 D 4 were determined from spectra recorded with 0.05 cm − 1 resolution.About:
This article is published in Chemical Physics Letters.The article was published on 1981-10-01. It has received 28 citations till now. The article focuses on the topics: Fourier transform infrared spectroscopy.read more
Citations
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Journal ArticleDOI
Subdoppler study of the nu(7) band of C2H4 with a CO2 laser sideband spectrometer
TL;DR: In this article, the saturation spectrum of ethylene between 900 and 1100 cm(-1) with the sub-Doppler sideband spectrometer of Lille has been studied with an absolute accuracy of approximately 15 kHz and a new global analysis of the GS and of the v(7, v(10), and v(4) upper states was achieved taking into account the Coriolis interactions up to the third order.
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The vibrational energy pattern in ethylene (12C2H4)
TL;DR: In this paper, a block-diagonalized vibrational matrix Hamiltonian is set up, combining a Dunham expansion with the 2/10,10, 11/2,12 and the 5,5/9,9, 1,1/11,11,1,9/5,11 and 1,11/5-9 anharmonic resonances, with the normal modes numbered according to the most usual conventions in the previous literature.
Journal ArticleDOI
SCF and electron correlation studies on structures and harmonic in‐plane force fields of ethylene, trans 1,3‐butadiene, and all‐trans 1,3,5‐hexatriene
TL;DR: In this paper, the effect of electron correlation at the coupled pair functional (CPF) level on the ground state equilibrium structure of the carbon backbone was investigated. And the most interesting parts of the force fields, namely those involving stretching vibrations of the conjugated carbon backbone, were subsequently reevaluated including electron correlation.
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Extension to third-order Coriolis terms of the analysis of ν10, ν7, and ν4 levels of ethylene on the basis of Fourier transform and diode laser spectra
I. Cauuet,Jacques Walrand,G. Blanquet,A. Valentin,L. Henry,Ch. Lambeau,M. de Vleeschouwer,André Fayt +7 more
TL;DR: In this article, the Watson Hamiltonians up to the sextic centrifugal distortion coefficients and the interaction Hamiltonian up to third-order Coriolis resonance terms were developed for the analysis of ethylene levels.
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A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels
TL;DR: A new ground state potential energy surface for ethylene (ethene) C2H4 obtained from extended ab initio calculations using the coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ is reported.
References
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Journal ArticleDOI
An improved general harmonic force field for ethylene
J.L. Duncan,E. Hamilton +1 more
TL;DR: The recent availability of critical experimental data, both from this and other laboratories, for isotopic species of the ethylene molecule, has enabled the previously published GHFF to be redetermined with much greater precision as discussed by the authors.
Journal ArticleDOI
Energy levels of slightly asymmetric top molecules
TL;DR: In this article, the rotational analysis of the band spectra of slightly asymmetric top was performed and the explicit dependence on J, K, and the asymmetry parameter e (including terms up to e5) was derived.
Journal ArticleDOI
High resolution study of the v 7 + v 8 band of ethylene (C2H4) at 1889 cm-1
D. Van Lerberghe,André Fayt +1 more
TL;DR: In this article, the v 7 + v 8 A-type band of C2H4 has been recorded between 1932 and 1847 cm-1 with a resolution of 0·06 cm −1.
Related Papers (5)
Local mode and normal mode interpretations of the CH and CD stretching vibrational manifolds in C2H4 and C2D4
J. L. Duncan,A. M. Ferguson +1 more