SCC-EH MOLECULAR-ORBITAL CALCULATIONS OF ELECTION DISTRIBUTION IN BENZOCYCLOPROPENE AND ITS CATION, ANION AND RADICAL

被引:29
作者
HALTON, B [1 ]
HALTON, MP [1 ]
机构
[1] VICTORIA UNIV,DEPT CHEM,WELLINGTON,NEW ZEALAND
关键词
D O I
10.1016/0040-4020(73)80117-6
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
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页码:1717 / 1720
页数:4
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共 13 条
[1]   X-RAY STRUCTURE-ANALYSIS OF A BENZOCYCLOPROPENE DERIVATIVE [J].
CARSTENS.E ;
MULLER, B ;
DURR, H .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1972, 11 (05) :422-+
[2]   CALCULATIONS OF GEOMETRIES OF ORGANIC MOLECULES USING CNDO/2 MOLECULAR ORBITAL METHOD .2. STRUCTURAL PREDICTIONS FOR BENZOCYCLOALKENES, AND A THEORETICAL RATIONALIZATION OF THEIR PROTON-PROTON SPIN-SPIN COUPLING CONSTANTS [J].
CHEUNG, CS ;
COOPER, MA ;
MANATT, SL .
TETRAHEDRON, 1971, 27 (04) :701-&
[3]   THE MOLECULAR STRUCTURE OF CYCLOPROPENE, C3C4 [J].
DUNITZ, JD ;
FELDMAN, HG ;
SCHOMAKER, V .
JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (11) :1708-1709
[4]   BENZOCYCLOPROPENES [J].
HALTON, B .
CHEMICAL REVIEWS, 1973, 73 (02) :113-126
[5]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[6]  
KASAI RH, 1959, J CHEM PHYS, V30, P512
[7]  
LONGUETHIGGINS HC, 1946, T FARADAY SOC, V47, P756
[8]  
Moore C. E., 1948, ATOMIC ENERGY LEVELS
[9]   AN X-RAY AND NEUTRON DIFFRACTION REFINEMENT OF STRUCTURE OF PARA-TERPHENYL [J].
RIETVELD, HM ;
MASLEN, EN ;
CLEWS, CJB .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1970, B 26 :693-&
[10]   Atomic shielding constants [J].
Slater, JC .
PHYSICAL REVIEW, 1930, 36 (01) :0057-0064