AB-INITIO MOLECULAR-ORBITAL STUDY OF ETHYLENEDIONE (O-C-C-O)

被引：57

作者：

HADDON, RC ^{[1
]}

POPPINGER, D ^{[1
]}

RADOM, L ^{[1
]}

机构：

[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1975年 / 97卷 / 07期

关键词：

D O I：

10.1021/ja00840a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1645 / 1649

页数：5

共 40 条

[1] REACTION PATHWAYS FOR TRIPLET METHYLENE ABSTRACTION CH2 (B-3(1)) + H2-] CH3 + H [J].

BASKIN, CP ;

BENDER, CF ;

BAUSCHLI.CW ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (09) :2709-2713

[2] AB-INITIO STUDY OF ELECTRONIC-STRUCTURE OF C2O2 [J].

BEEBE, NHF ;

SABIN, JR .

CHEMICAL PHYSICS LETTERS, 1974, 24 (03) :389-394

[3] NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&

[4] 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-+

[5]

BLOOMFIELD JJ, 1968, TETRAHEDRON LETT, P5647

[6] GROUND STATES OF SIGMA-BONDED MOLECULES .10.EXTENSION OF MINDO/2 METHOD TO COMPOUNDS CONTAINING NITROGEN AND/OR OXYGEN [J].

BODOR, N ;

DEWAR, MJS ;

HARGET, A ;

HASELBACH, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (13) :3854-+

[7] PHOTOCHEMICAL AND THERMAL CYCLOADDITIONS OF CIS-STILBENE AND TOLAN (DIPHENYLACETYLENE) TO TETRACHLORO-P-BENZOQUINONE . PHOTODECARBOXYLATION OF AN ALPHA-DIKETONE [J].

BRYCESMI.D ;

GILBERT, A .

CHEMICAL COMMUNICATIONS, 1968, (21) :1319-&

[8] NEW ENONE PHOTOCHEMISTRY [J].

DEAN, DL ;

HART, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (02) :687-&

[9] MOLECULAR-ORBITAL STUDY OF LOW-ENERGY ELECTRONIC STATES OF KETENE [J].

DELBENE, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (11) :3713-&

[10] MINDO/2 STUDY OF AROMATIC (ALLOWED) ELECTROCYCLIC REACTIONS OF CYCLOPROPYL AND CYCLOBUTENE [J].

DEWAR, MJS ;

KIRSCHNE.S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (17) :4290-&

← 1 2 3 4 →