CH STRETCHING OVERTONE SPECTRA AND INTENSITIES OF VAPOR-PHASE NAPHTHALENE

被引:41
作者
KJAERGAARD, HG [1 ]
HENRY, BR [1 ]
机构
[1] UNIV GUELPH,DEPT CHEM & BIOCHEM,GUELPH,ON N1G 2W1,CANADA
关键词
D O I
10.1021/j100003a011
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
Room temperature vapor phase CH stretching overtone spectra of naphthalene are reported for the first time. The vibrational overtone spectra of naphthalene are recorded in the Delta v(CH) = 2 and 3 regions by conventional near-infrared spectroscopy and in the Delta V-CH = 4 and 5 regions by intracavity titanium:sapphire laser photoacoustic spectroscopy. Absolute oscillator strengths are obtained from the conventional spectra. The photoacoustic spectra provide relative oscillator strengths between the observed peaks within a given overtone. Peaks corresponding to two nonequivalent CH stretching local modes are consistently assigned. Oscillator strengths are calculated with an anharmonic oscillator local mode model and ab initio dipole moment functions. We compare the calculated and experimental oscillator strengths. Our simple calculations, which contain no adjustable parameters, are in very good agreement with the observed intensities.
引用
收藏
页码:899 / 904
页数:6
相关论文
共 45 条
[1]  
ATKINS PW, 1983, MOL QUANTUM MECHANIC
[2]   LOCAL MODE OVERTONE SPECTRA [J].
CHILD, MS .
ACCOUNTS OF CHEMICAL RESEARCH, 1985, 18 (02) :45-50
[3]   LOCAL AND NORMAL VIBRATIONAL-STATES - A HARMONICALLY COUPLED ANHARMONIC-OSCILLATOR MODEL [J].
CHILD, MS ;
LAWTON, RT .
FARADAY DISCUSSIONS, 1981, 71 :273-285
[4]   OVERTONE FREQUENCIES AND INTENSITIES IN THE LOCAL MODE PICTURE [J].
CHILD, MS ;
HALONEN, L .
ADVANCES IN CHEMICAL PHYSICS, 1984, 57 :1-58
[5]   THEORETICAL INFRARED-SPECTRA OF SOME MODEL POLYCYCLIC AROMATIC-HYDROCARBONS - EFFECT OF IONIZATION [J].
DEFREES, DJ ;
MILLER, MD ;
TALBI, D ;
PAUZAT, F ;
ELLINGER, Y .
ASTROPHYSICAL JOURNAL, 1993, 408 (02) :530-538
[6]   THEORETICAL DESCRIPTION OF THE OVERTONE SPECTRA OF ACETALDEHYDE USING THE LOCAL MODE APPROACH [J].
FINDSEN, LA ;
FANG, HL ;
SWOFFORD, RL ;
BIRGE, RR .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) :16-27
[7]   DETECTION OF 2 INTERSTELLAR ABSORPTION-BANDS COINCIDENT WITH SPECTRAL FEATURES OF C-60(+) [J].
FOING, BH ;
EHRENFREUND, P .
NATURE, 1994, 369 (6478) :296-298
[8]  
Frisch M.J., 1992, GAUSSIAN 92 REVISION
[9]   LABORATORY EVIDENCE FOR HIGHLY UNSATURATED-HYDROCARBONS AS CARRIERS OF SOME OF THE DIFFUSE INTERSTELLAR BANDS [J].
FULARA, J ;
LESSEN, D ;
FREIVOGEL, P ;
MAIER, JP .
NATURE, 1993, 366 (6454) :439-441
[10]   GENERAL LOCAL-MODE THEORY FOR HIGH-ENERGY POLYATOMIC OVERTONE SPECTRA AND APPLICATION TO DICHLOROMETHANE [J].
HAYWARD, RJ ;
HENRY, BR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 57 (02) :221-235