ABINITIO MO STUDY OF THE FULL CATALYTIC CYCLE OF OLEFIN HYDROGENATION BY THE WILKINSON CATALYST RHCL(PR3)3

被引:123
作者
DANIEL, C
KOGA, N
HAN, J
FU, XY
MOROKUMA, K
机构
[1] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
[2] BEIJING NORMAL UNIV,DEPT CHEM,BEIJING,PEOPLES R CHINA
关键词
D O I
10.1021/ja00220a010
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3773 / 3787
页数:15
相关论文
共 99 条
[1]   REDUCTIVE ELIMINATION OF HH, HCH3, AND CH3CH3 FROM BIS(PHOSPHINE)PLATINUM(II), BIS(PHOSPHINE)PALLADIUM(II), AND BIS(PHOSPHINE)NICKEL(II) COMPLEXES - A THEORETICAL-STUDY USING THE SCF-X-ALPHA-SW METHOD [J].
BALAZS, AC ;
JOHNSON, KH ;
WHITESIDES, GM .
INORGANIC CHEMISTRY, 1982, 21 (06) :2162-2174
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]  
BINKLEY JS, 1984, CARNEGIEMELLON CHEM
[5]   CARBON-HYDROGEN-TRANSITION METAL BONDS [J].
BROOKHART, M ;
GREEN, MLH .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1983, 250 (01) :395-408
[6]   STEREOCHEMISTRY OF INTERMEDIATES IN HOMOGENEOUS HYDROGENATION CATALYZED BY TRISTRIPHENYLPHOSPHINERHODIUM CHLORIDE, EMPLOYING NUCLEAR-MAGNETIC-RESONANCE MAGNETIZATION TRANSFER [J].
BROWN, JM ;
EVANS, PL ;
LUCY, AR .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (11) :1589-1596
[7]   MECHANISM OF THERMAL ELIMINATION OF ETHANE FROM IODOTRIMETHYLBIS(DIMETHYL-PHENYLPHOSPHINE)PLATINUM(IV) [J].
BROWN, MP ;
PUDDEPHATT, RJ ;
UPTON, CEE .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1973, 49 (01) :C61-C63
[8]   MECHANISM OF REDUCTIVE ELIMINATION OF ETHANE FROM SOME HALOGENO-TRIMETHYLBIS(TERTIARY PHOSPHINE)PLATINUM(IV)COMPLEXES [J].
BROWN, MP ;
PUDDEPHATT, RJ ;
UPTON, CEE .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1974, (22) :2457-2465
[9]   SIDE-ON BONDED DINITROGEN AND DIOXYGEN COMPLEXES OF RHODIUM(I) - SYNTHESIS AND CRYSTAL-STRUCTURES OF TRANS-CHLORO(DINITROGEN)-BIS(TRI-ISOPROPLPHOSPHINE)RHODIUM(I), CHLORO(DIOXYGEN)-BIS(TRI-ISOPROPLPHOSPHINE)RHODIUM(I), AND CHLORO(ETHYLENE)-BIS(TRI-ISOPROPYLPHOSPHINE)RHODIUM(I) [J].
BUSETTO, C ;
DALFONSO, A ;
MASPERO, F ;
PEREGO, G ;
ZAZZETTA, A .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1977, (19) :1828-&
[10]   INTERCEPTION AND CHARACTERIZATION OF A HYDRIDOALKYLRHODIUM INTERMEDIATE IN A HOMOGENEOUS CATALYTIC-HYDROGENATION REACTION [J].
CHAN, ASC ;
HALPERN, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (02) :838-840