ABINITIO CALCULATION OF HARMONIC FORCE-FIELDS AND VIBRATIONAL-SPECTRA FOR THE FLUOROPHOSPHORANES PH-N-F5-N (N = 0-5)

被引:32
作者
BREIDUNG, J
THIEL, W
KOMORNICKI, A
机构
[1] BERG UNIV GESAMTHSCH WUPPERTAL, D-5600 WUPPERTAL 1, FED REP GER
[2] POLYATOM RES INST, MT VIEW, CA 94043 USA
关键词
D O I
10.1021/j100331a015
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
引用
收藏
页码:5603 / 5611
页数:9
相关论文
共 59 条
[51]   INTRA-MOLECULAR REARRANGEMENTS IN TRIFLUOROPHOSPHORANE - ABINITIO LCAO-MO-SCF STUDY [J].
STRICH, A .
INORGANIC CHEMISTRY, 1978, 17 (04) :942-947
[52]   COLD JET INFRARED-ABSORPTION SPECTROSCOPY - THE NU-3 BAND OF PF5 [J].
TAKAMI, M ;
KUZE, H .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (06) :2314-2318
[53]   SYNTHESIS AND CHARACTERIZATION OF HPF4 AND H2PF3 [J].
TREICHEL, PM ;
GOODRICH, RA ;
PIERCE, SB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (09) :2017-&
[54]   THEORETICAL DATA ON THE MULTICOORDINATION OF PHOSPHORUS AND ARSENIC [J].
TRINQUIER, G ;
DAUDEY, JP ;
CARUANA, G ;
MADAULE, Y .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (17) :4794-4799
[55]  
UGI I, 1970, ANGEW CHEM, V82, P741
[56]   E' VIBRATIONAL MODES IN XY5 MOLECULES - AB-INITIO STUDY OF PH5 [J].
WALKER, W .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 43 (03) :411-&
[57]   PSEUDO-ROTATION IN HYDROLYSIS OF PHOSPHATE ESTERS [J].
WESTHEIMER, FH .
ACCOUNTS OF CHEMICAL RESEARCH, 1968, 1 (03) :70-+
[58]   RAMAN-SPECTRA OF GASES .10. RAMAN BAND CONTOUR OF NU7 (E') FUNDAMENTAL OF PF5 [J].
WITT, JD ;
CARREIRA, LA ;
DURIG, JR .
JOURNAL OF MOLECULAR STRUCTURE, 1973, 18 (02) :157-162
[59]   COLD JET INFRARED-ABSORPTION SPECTROSCOPY - FERMI RESONANCE IN THE NU-5/2-NU-8 BANDS OF PF5 [J].
YAMAMOTO, S ;
TAKAMI, M ;
KUCHITSU, K .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) :3879-3884