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Raman and infrared spectra, normal coordinate calculations and vibrational assignment for 1,1,1,3,3,3-hexafluoro-2-propanimine

✍ Scribed by J. R. Durig; N. E. Lindsay; T. G. Sheehan

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
632 KB
Volume
20
Category
Article
ISSN
0377-0486

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✦ Synopsis

The Raman (4OOO-10 cm-') and infrared (4OOO-50 cm-') spectrs of gaseous and solid 1,1,1,3,3,3-hexafluor0-2propanimine, (CF,)2C=NH, were recorded. Additionally, the Raman spectrum of the liquid was recorded and qualitative depolarization values were obtained. A complete vibrational assignment for the normal modes utilizing C, symmetry is proposed based on band contours, depolarization values and group frequencies. The assignment is supported by a normal coordinate calculation utilizing a modified valence force field to calculate the frequencies and potential energy distribution of the normal modes. A CF, torsional mode was observed in the Raman spectrum of the liquid at approximately 60 cm-', from which a periodic barrier of 5.0 kcal mol-' (1 kcal = 4.184 kJ) was calculated. The results are compared with similar data for some corresponding molecules.

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