AN ABINITIO STUDY OF THE STRUCTURE OF THE 2-CHLOROETHYL RADICAL

被引:28
作者
HOPKINSON, AC [1 ]
LIEN, MH [1 ]
CSIZMADIA, IG [1 ]
机构
[1] UNIV TORONTO,LASH MILLER CHEM LABS,TORONTO M5S 1A1,ONTARIO,CANADA
关键词
D O I
10.1016/0009-2614(80)80223-5
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:557 / 562
页数:6
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共 44 条
[31]   UNSTABLE INTERMEDIATES .110. HYPERCONJUGATION BY GROUPS CONTAINING HEAVY ATOMS - ELECTRON-SPIN RESONANCE STUDIES OF CARBON RADICALS HAVING BETA-SNR3,BETA-PR2,BETA-PR+3,BETA-ASR2,BETA-ASR+3 AND BETA-ASO3H GROUPS [J].
LYONS, AR ;
SYMONS, MCR .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (04) :622-&
[32]   ELECTRON SPIN RESONANCE EVIDENCE FOR GREATLY ENHANCED HYPERCONJUGATION IN RADICALS CONTAINING TIN, PHOSPHORUS, AND ARSENIC [J].
LYONS, AR ;
SYMONS, MCR .
JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (18) :1068-&
[33]   LOCALIZED MOLECULAR-ORBITAL STUDIES OF CHEMICAL-REACTIONS - DEFORMATION, REARRANGEMENT, AND SPIN POLARIZATION OF BONDS INVOLVED IN RADICAL REACTIONS [J].
NAGASE, S ;
TAKATSUKA, K ;
FUENO, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (13) :3838-3844
[34]   ABINITIO APPROACH TO ORGANIC-REACTION RATES - KINETIC ISOTOPE EFFECTS IN THE REACTION H + C2H4-]C2H5 [J].
NAGASE, S ;
FUENO, T ;
MOROKUMA, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (19) :5849-5851
[35]  
POPLE JA, 1954, J CHEM PHYS, V22, P57
[36]   AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].
PULAY, P .
MOLECULAR PHYSICS, 1969, 17 (02) :197-&
[38]   AB-INITIO COMPUTATION OF FORCE CONSTANTS .1. 2ND AND 3RD PERIOD HYDRIDES [J].
SCHLEGEL, HB ;
WOLFE, S ;
BERNARDI, F .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3632-3638
[39]   MOLECULAR STRUCTURE OF ETHYL CHLORIDE [J].
SCHWENDEMAN, RH ;
JACOBS, GD .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (05) :1245-&
[40]  
SKELL PS, 1973, FREE RADICALS, V2, P809