ORGANIC-PHOTOCHEMISTRY .66. (PI-STAR-SIGMA-STAR) MOLECULAR-ORBITAL MIXING IN BETA-CHLORO KETONES AND BETA-CHLORO OLEFINS

被引:22
作者
MORRISON, H [1 ]
SINGH, TV [1 ]
DECARDENAS, L [1 ]
SEVERANCE, D [1 ]
JORDAN, K [1 ]
SCHAEFER, W [1 ]
机构
[1] UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
关键词
D O I
10.1021/ja00273a069
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3862 / 3863
页数:2
相关论文
共 15 条
[1]   ORGANIC QUANTUM CHEMISTRY .13. ELECTRONIC SPECTRA OF ALPHA-HALO KETONES [J].
ALLINGER, NL ;
TAI, JC ;
MILLER, MA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (19) :4495-&
[2]  
BINKLEY JS, 368 QUANT CHEM PROGR
[3]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[4]  
DEWAR MJS, 438 QUANT CHEM PROGR
[5]   INDIRECT CALCULATIONS OF RELATIVE ROTATORY STRENGTHS OF SUBSTITUTED KETONES [J].
GIDDINGS, MR ;
ERNSTBRUNNER, EE ;
HUDEC, J .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1976, (23) :954-956
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[7]   STUDIES OF TEMPORARY ANION STATES OF UNSATURATED-HYDROCARBONS BY ELECTRON TRANSMISSION SPECTROSCOPY [J].
JORDAN, KD ;
BURROW, PD .
ACCOUNTS OF CHEMICAL RESEARCH, 1978, 11 (09) :341-348
[8]  
JORGENSEN WJ, 1973, ORGANIC CHEM BOOK OR
[9]   ORBITAL INTERACTION IN AMINO-KETONES [J].
LEVIN, CC ;
HOFFMANN, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1973, (02) :210-220
[10]   SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS [J].
NEWTON, MD ;
LATHAN, WA ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (08) :4064-&