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A comparison of predicted and experimental vibrational spectra in some small fluorocarbons

✍ Scribed by He Jiang; Dominic Appadoo; Evan Robertson; Don McNaughton


Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
76 KB
Volume
23
Category
Article
ISSN
0192-8651

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✦ Synopsis


The vibrational assignments of difluoromethane, cis and trans 1,2-difluoroethylene, trifluoroethylene, 2-fluoropropene, 1,1-difluoroethylene, and tetrafluoroethylene have been reassessed in the light of recent theoretical work. Inconsistent experimental wave number values and assignments have been clarified, and some changes to the experimental assignments are proposed. The assignments compare favorably with recent scaled density functional theory calculations using the hybrid three-parameter B3-PW91 density functional.


πŸ“œ SIMILAR VOLUMES


Hydrocarbon and fluorocarbon solubility
✍ M. G. De Angelis; T. C. Merkel; V. I. Bondar; B. D. Freeman; F. Doghieri; G. C. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 294 KB

Sorption and dilation isotherms are reported for a series of gases (N 2 , O 2 , CO 2 ), hydrocarbon vapors (CH 4 , C 2 H 6 , C 3 H 8 ), and their fluorocarbon analogs (CF 4 , C 2 F 6 , C 3 F 8 ) in poly(dimethylsiloxane) (PDMS) at 35Β°C and pressures up to 27 atmospheres. The hydrocarbons are signifi