EQUILIBRIUM GEOMETRY OF TRIMETHYLENEMETHANE AND ABSENCE OF AN ADJACENT SECONDARY MINIMUM ON TRIPLET POTENTIAL-ENERGY SURFACE

被引:28
作者
HOOD, DM [1 ]
PITZER, RM [1 ]
SCHAEFER, HF [1 ]
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
关键词
D O I
10.1021/ja00475a041
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:2227 / 2228
页数:2
相关论文
共 12 条
[1]   CONFIGURATION INTERACTION CALCULATIONS FOR E-1' TRIMETHYLENEMETHANE [J].
DAVIDSON, ER ;
BORDEN, WT .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) :663-666
[2]   SOME ASPECTS OF POTENTIAL SURFACE FOR SINGLET TRIMETHYLENEMETHANE [J].
DAVIDSON, ER ;
BORDEN, WT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (07) :2053-2060
[3]  
DAVIDSON ER, 1977, J AM CHEM SOC, V99, P4242
[4]   GROUND AND EXCITED-STATES OF TRIMETHYLENEMETHANE [J].
DAVIS, JH ;
GODDARD, WA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (01) :303-304
[5]   TRIMETHYLENEMETHANE - REVERSIBLE, TEMPERATURE-DEPENDENT TRANSFORMATION FROM HIGHER TO LOWER SYMMETRY AS OBSERVED BY ELECTRON-SPIN RESONANCE SPECTROSCOPY [J].
DOWD, P ;
CHOW, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (08) :2825-2827
[7]   ORGANIC TRANSITION-STATES .2. METHYLENECYCLOPROPANE REARRANGEMENT - 2-STEP DIRADICAL PATHWAY WITH A SECONDARY MINIMUM [J].
HEHRE, WJ ;
SALEM, L ;
WILLCOTT, MR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (13) :4328-4330
[8]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[9]   CALCULATION OF AVERAGE STRUCTURE OF ETHYLENE [J].
KUCHITSU, K .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (03) :906-+
[10]  
POPLE JA, 1977, MODERN THEORETICAL C, V4, P1