CALCULATIONS OF GEOMETRIES OF ORGANIC MOLECULES USING CNDO/2 METHOD .1. EMPIRICAL CORRELATIONS BETWEEN OBSERVED AND CALCULATED BOND LENGTHS IN SIMPLE ACYCLICS, STRAINED CYCLOALKENES AND SOME POLYCYCLIC MOLECULES

被引:27
作者
CHEUNG, CS
COOPER, MA
MANATT, SL
机构
关键词
D O I
10.1016/S0040-4020(01)92465-2
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:689 / &
相关论文
共 22 条
[1]  
BAK B, 1969, J MOL STRUCTURE, V3, P69
[2]  
BINSCH G, 1966, MOL PHYS, V1, P305
[3]   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-&
[4]   EFFECT OF STERIC COMPRESSION ON PROTON-PROTON, SPIN-SPIN COUPLING CONSTANTS - FURTHER EVIDENCE AND MECHANISTIC CONSIDERATIONS [J].
COOPER, MA ;
MANATT, SL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (15) :4646-+
[5]   PROTON NMR SPECTRA OF CYCLOPENTADIENE, 1,3-CYCLOHEXADIENE, 1,3-CYCLOOCTADIENE, AND 1,2-DIHYDRONAPHTHALENE [J].
COOPER, MA ;
ELLEMAN, DD ;
PEARCE, CD ;
MANATT, SL .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (06) :2343-&
[7]   A CRITICAL EVALUATION OF DEPENDENCE OF 3JHH COUPLINGS ON BOND ORDER AND BOND LENGTH IN CONJUGATED CARBOCYCLIC MOLECULES . EVIDENCE FOR A STERIC EFFECT ON 3JHH [J].
COOPER, MA ;
MANATT, SL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (23) :6325-&
[8]  
COOPER MG, IN PRESS
[9]   ON PERTURBATION CALCULATIONS FOR PI-ELECTRONS AND THEIR APPLICATION TO BOND LENGTH RECONSIDERATIONS IN AROMATIC HYDROCARBONS [J].
COULSON, CA ;
GOLEBIEWSKI, A .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1961, 78 (506) :1310-&
[10]  
Davis M. I., 1970, Journal of Physical Chemistry, V74, P1104, DOI 10.1021/j100700a024