STABILIZATION OF PERPENDICULAR OLEFINS - STRUCTURES AND ROTATIONAL BARRIERS OF SINGLET AND TRIPLET 1,1-DILITHIOETHYLENES

被引:43
作者
APELOIG, Y
SCHLEYER, PV
BINKLEY, JS
POPLE, JA
机构
[1] PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
[2] UNIV ERLANGEN NURNBERG, INST ORG CHEM, D-8520 ERLANGEN, GERMANY
[3] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
关键词
D O I
10.1021/ja00430a064
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4332 / 4334
页数:3
相关论文
共 34 条
[1]   FULVALENE STRUCTURE AND DIPOLAR CHARACTER - X-RAY CRYSTAL-STRUCTURES OF 1-BENZYL-2-CYCLOPENTADIENYLIDENE-1,2-DIHYDROPYRIDINE, 1-(2',6'-DICHLOROBENZYL)-4-CYCLOPENTADIENYLIDENE-1,4-DIHYDROPYRIDINE, AND 2-(2',6'-DICHLOROBENZYL)-1-CYCLOPENTADIENYLIDENE-1,2-DIHYDROISOQUINOLINE - RELATIONSHIPS BETWEEN 5-RING AND 6-RING BOND LENGTHS, 5-RING VICINAL PROTON COUPLING-CONSTANTS, AND CHARGE-DENSITIESZ [J].
AMMON, HL ;
WHEELER, GL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (09) :2326-2336
[2]  
APELOIG Y, IN PRESS
[3]   SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE [J].
BENDER, CF ;
ALLEN, LC ;
SCHAEFER, HF ;
FRANCESC.DR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) :6888-+
[4]   GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1294-1301
[5]  
BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701
[7]   NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
HSU, HL .
CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) :65-+
[8]  
CLARK T, UNPUBLISHED OBSERVAT
[9]   GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].
DEWAR, MJS ;
HASELBAC.E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON [J].
DILL, JD ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (07) :2921-2923