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Vibronic spectra, ab initio calculations, and structures of conformationally non-rigid molecules of oxalyl halides in the ground and lowest excited electronic states. Part IV: Analysis of the absorption spectra of oxalyl fluoride in the gas phase
Authors:IA Godunov  NN Yakovlev  DV Maslov  SI Bokarev
Institution:Department of Chemistry, Moscow State University, Leninskie Gory, 1/3, 119991 Moscow, Russia
Abstract:The gas phase absorption spectrum of oxalyl fluoride in the region of 37 000–29 300 cm−1 has been examined at high resolution. Singlet–singlet View the MathML source and singlet–triplet View the MathML source electronic transitions of the trans-conformer were found in the spectrum. The fundamental frequencies of trans-oxalyl fluoride in the View the MathML source and View the MathML source electronic states were determined.In the low resolution ultraviolet absorption spectrum of oxalyl fluoride in the gas phase the View the MathML source transition of the cis-conformer (νmax) was found to be shifted to the blue by about 6000 cm−1 relative to the View the MathML source transition of the trans-conformer.
Keywords:Oxalyl fluoride  Vibronic spectra  Internal rotation
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