TRANSITION STRUCTURES AND BARRIERS FOR THE 1,2-H SHIFTS IN DIPHOSPHENE (HP=PH), PHOSPHAZENE (HP=NH), AND DIIMIDE (HN=NH) - A THEORETICAL-STUDY OF THE SINGLET AND TRIPLET-STATES

被引：54

作者：

ITO, K ^{[1
]}

NAGASE, S ^{[1
]}

机构：

[1] YOKOHAMA NATL UNIV, FAC EDUC, DEPT CHEM, YOKOHAMA, KANAGAWA 240, JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 126卷 / 06期

关键词：

D O I：

10.1016/S0009-2614(86)80169-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：531 / 536

页数：6

共 27 条

[1] LOW-LYING TRIPLET-STATES OF DIPHOSPHENE, HP=PH, AND DIPHOSPHINYLIDENE, H-2P=P [J].

ALLEN, TL ;

SCHEINER, AC ;

YAMAGUCHI, Y ;

SCHAEFER, HF .

CHEMICAL PHYSICS LETTERS, 1985, 121 (1-2) :154-158

[2] SYNTHESIS AND STRUCTURE OF THE 1ST CYCLODIPHOSPHAZENE - DIMERIZATION OF A PHOSPHONITRILE GREATER-THAN-P=N [J].

BACEIREDO, A ;

BERTRAND, G ;

MAJORAL, JP ;

SICARD, G ;

JAUD, J ;

GALY, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (20) :6088-6089

[3] VERSATILE PHOTOCHEMICAL BEHAVIOR OF PHOSPHORUS AZIDES - CURTIUS-TYPE REARRANGEMENT AND DIVERSE FATES OF ALPHA-PHOSPHORUS NITRENES [J].

BACEIREDO, A ;

BERTRAND, G ;

MAJORAL, JP ;

ELANBA, F ;

MANUEL, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3945-3949

[4] SILVER AND GOLD CATIONIC DIPHOSPHENE COMPLEXES - MODELS FOR PROTONATION OF THE PHOSPHORUS PHOSPHORUS DOUBLE-BOND [J].

COWLEY, AH ;

NORMAN, NC ;

PAKULSKI, M .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (16) :1054-1055

[5] STABLE COMPOUNDS WITH DOUBLE BONDING BETWEEN THE HEAVIER MAIN-GROUP ELEMENTS [J].

COWLEY, AH .

ACCOUNTS OF CHEMICAL RESEARCH, 1984, 17 (11) :386-392

[6] DOUBLE BONDING BETWEEN THE HEAVIER MAIN-GROUP ELEMENTS - FROM REACTIVE INTERMEDIATES TO ISOLABLE MOLECULES [J].

COWLEY, AH .

POLYHEDRON, 1984, 3 (04) :389-432

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].

FRANCL, MM ;

PIETRO, WJ ;

HEHRE, WJ ;

BINKLEY, JS ;

GORDON, MS ;

DEFREES, DJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665

[8] ABINITIO THEORETICAL-STUDY OF PHOTOELECTRON AND NMR PROPERTIES OF DIAZENE, PHOSPHAZENE, DIPHOSPHENE, AND DIARSENE [J].

GALASSO, V .

CHEMICAL PHYSICS, 1984, 83 (03) :407-413

[9] COORDINATION-NUMBER-2 OF PHOSPHORUS - QUANTOCHEMICAL STUDY OF THE P=N AND P=C SYSTEMS [J].

GONBEAU, D ;

PFISTERGUILLOUZO, G ;

BARRANS, J .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1983, 61 (07) :1371-1378

[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].

GORDON, MS ;

BINKLEY, JS ;

POPLE, JA ;

PIETRO, WJ ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803

← 1 2 3 →