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 |
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Authors: | IA Godunov NN Yakovlev DV Maslov SI Bokarev |
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Institution: | Department of Chemistry, Moscow State University, Leninskie Gory, 1/3, 119991 Moscow, Russia |
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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 and singlet–triplet electronic transitions of the trans-conformer were found in the spectrum. The fundamental frequencies of trans-oxalyl fluoride in the and electronic states were determined.In the low resolution ultraviolet absorption spectrum of oxalyl fluoride in the gas phase the transition of the cis-conformer (νmax) was found to be shifted to the blue by about 6000 cm−1 relative to the transition of the trans-conformer. |
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Keywords: | Oxalyl fluoride Vibronic spectra Internal rotation |
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