ABINITIO MOLECULAR-ORBITAL STUDIES OF THE C3H3F ISOMERS - STRUCTURES AND STABILITIES OF FLUOROALLENE, FLUOROPROPYNE, AND FLUOROCYCLOPROPENE

被引:13
作者
HONJOU, N
机构
关键词
D O I
10.1021/j100320a005
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:2410 / 2415
页数:6
相关论文
共 45 条
[1]   GAS-PHASE PYROLYSIS OF CYCLOPROPENE .1. KINETICS AND MECHANISM [J].
BAILEY, IM ;
WALSH, R .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1978, 74 :1146-1158
[2]   LEAST-SQUARES REFINEMENT OF MOLECULAR STRUCTURES FROM GASEOUS ELECTRON-DIFFRACTION SECTOR MICROPHOTOMETER DATA .3. REFINEMENT OF CYCLOPROPANE [J].
BASTIANSEN, O ;
FRITSCH, FN ;
HEDBERG, K .
ACTA CRYSTALLOGRAPHICA, 1964, 17 (05) :538-&
[3]  
Binkley J. S., 1983, GAUSSIAN 82 RELEASE
[4]   EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIES [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
CHEMICAL PHYSICS LETTERS, 1975, 36 (01) :1-5
[5]   CARBENE CHEMISTRY .13. PREPARATION OF SOME FLUOROALLENES BY A CARBENE ROUTE, AND THE REACTION OF ALLENES WITH HALOGENOCARBENES [J].
BUNEGAR, MJ ;
FIELDS, R ;
HASZELDINE, RN .
JOURNAL OF FLUORINE CHEMISTRY, 1980, 15 (06) :497-509
[6]   DETERMINATION OF MOLECULAR STRUCTURES FROM GROUND STATE ROTATIONAL CONSTANTS [J].
COSTAIN, CC .
JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (04) :864-874
[7]   3-FLUOROCYCLOPROPENE [J].
CRAIG, NC ;
SLOAN, KL ;
SPRAGUE, JR ;
STEVENS, PS .
JOURNAL OF ORGANIC CHEMISTRY, 1984, 49 (20) :3847-3848
[8]   THE QUANTUM-MECHANICAL CALCULATION OF ROTATIONAL SPECTRA - A COMPARISON OF METHODS FOR C2H2, HCN, HNC, HCO+, N2H+, CO, AND N2 - PREDICTIONS FOR HCNH+, COH+, HBO, HBNH, AND HBF+ [J].
DEFREES, DJ ;
BINKLEY, JS ;
MCLEAN, AD .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (08) :3720-3725
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[10]   STEREOCHEMISTRY OF CYCLO-ADDITIONS OF FLUOROALLENE [J].
DOLBIER, WR ;
BURKHOLDER, CR ;
WICKS, GE ;
PALENIK, GJ ;
GAWRON, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (24) :7183-7184