THE DIRADICAL NATURE OF KETOCARBENES OCCURRING IN THE WOLFF REARRANGEMENT - AN MC-SCF STUDY

被引:20
作者
NOVOA, JJ [1 ]
MCDOUALL, JJW [1 ]
ROBB, MA [1 ]
机构
[1] UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1987年 / 83卷
关键词
D O I
10.1039/f29878301629
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1629 / 1636
页数:8
相关论文
共 41 条
[1]  
BAIRD NC, 1978, J AM CHEM SOC, V100, P1333, DOI 10.1021/ja00473a001
[2]  
COWEN DO, 1964, J ORG CHEM, V29, P1922
[3]   MECHANISM OF WOLFF REARRANGEMENT .5. SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON ALPHA-DIAZO KETONES, OXIRENES, AND RELATED REACTION INTERMEDIATE [J].
CSIZMADI.IG ;
GUNNING, HE ;
GOSAVI, RK ;
STRAUSZ, OP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (01) :133-137
[4]   MECHANISM OF WOLFF REARRANGEMENT [J].
CSIZMADIA, IG ;
FONT, J ;
STRAUSZ, OP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (26) :7360-+
[5]   MINDO-3 AND NDDO STUDY OF ANTIAROMATIC 3-MEMBERED RINGS AND THEIR VALENCE TAUTOMERS [J].
DEWAR, MJS ;
RAMSDEN, CA .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1973, (18) :688-689
[6]   ABINITIO STUDY OF ENERGIES AND STRUCTURES OF KETENE, OXIRENE, AND ETHYNOL [J].
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (09) :4244-4247
[7]   EXCITED ELECTRONIC STATES OF KETENE [J].
DYKSTRA, CE ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (10) :2689-2695
[8]   DIRECT MINIMIZATION IN MC SCF THEORY - THE QUASI-NEWTON METHOD [J].
EADE, RHA ;
ROBB, MA .
CHEMICAL PHYSICS LETTERS, 1981, 83 (02) :362-368
[9]  
Fletcher R., 1981, PRACTICAL METHODS OP
[10]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222