HIGH-RESOLUTION IR SPECTROSCOPY OF JET-COOLED CF3CH2F

被引:24
作者
MCNAUGHTON, D
EVANS, C
ROBERTSON, EG
机构
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1995年 / 91卷 / 12期
关键词
D O I
10.1039/ft9959101723
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The mid-IR spectrum of HFC-134a, CF3CH2F, entrained in a supersonic jet expansion has been measured at high and low resolution and the rotational structure of the C-type bands v(14) (1204 cm(-1)) and v(15) (974 cm(-1)) has been analysed along with the hot band v(15) + v(18) <-- v(18). Rotational constants have been obtained and used to simulate the band structure, enabling the rotational temperature in the jet to be estimated at 65 K. In addition, low-resolution far-IR spectra of CF(3)GH(2)F in a room-temperature gas cell have been recorded and the vibrational fundamentals more completely assigned. These results are compared with previous experimental values and those predicted from molecular orbital calculations.
引用
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页码:1723 / 1728
页数:6
相关论文
共 14 条
[1]   INFRARED BAND STRENGTHS AND THEIR TEMPERATURE-DEPENDENCE OF THE HYDROHALOCARBONS HFC-134A, HFC-152A, HCFC-22, HCFC-123 AND HCFC-142B [J].
CAPPELLANI, F ;
RESTELLI, G .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1992, 48 (08) :1127-1131
[2]  
Crowder G. A., 1973, J FLUORINE CHEM, V3, P125
[3]   INFRARED AND RAMAN SPECTRA OF CF3CH2I, CF3CH2BR, AND CF3CH2F [J].
EDGELL, WF ;
WARD, C ;
RIETHOF, TR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1963, 11 (02) :92-&
[4]  
Frisch M.J., 1992, GAUSSIAN 92
[5]   VIBRATIONAL FUNDAMENTALS OF CF3CH2X MOLECULES [J].
HARNISH, DF ;
HIRSCHMANN, RP .
APPLIED SPECTROSCOPY, 1970, 24 (01) :28-+
[6]   RAMAN-SPECTRA OF GASES .19. LOW-FREQUENCY GASEOUS PHASE RAMAN-SPECTRA AND BARRIERS TO INTERNAL-ROTATION OF 1,1,1-TRIFLUOROETHYL HALIDES [J].
LOPATA, AD ;
DURIG, JR .
JOURNAL OF RAMAN SPECTROSCOPY, 1977, 6 (02) :61-66
[7]   IDEAL-GAS PROPERTIES OF NEW REFRIGERANTS FROM QUANTUM-MECHANICAL AB-INITIO CALCULATIONS [J].
LUCAS, K ;
DELFS, U ;
BUSS, V ;
SPEIS, M .
INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1993, 14 (05) :993-1006
[8]   HIGH-RESOLUTION FTIR ANALYSIS OF THE NU-1-BAND OF TRICARBON MONOXIDE - PRODUCTION OF TRICARBON MONOXIDE AND CHLOROACETYLENES BY PYROLYSIS OF FUMAROYL DICHLORIDE [J].
MCNAUGHTON, D ;
MCGILVERY, D ;
SHANKS, F .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1991, 149 (02) :458-473
[9]   HIGH-RESOLUTION FTIR JET SPECTROSCOPY OF CCL2F2 [J].
MCNAUGHTON, D ;
MCGILVERY, D ;
ROBERTSON, EG .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1994, 90 (08) :1055-&
[10]  
MCNAUGHTON D, IN PRESS J MOL STRUC