MOLECULAR-ORBITAL CALCULATIONS ON FE4(CO)10(MU-CO)(MU-4-SE)2 AND FE3RU(CO)10(MU-CO)(MU-4-SE)2

被引：5

作者：

DATTA, SN ^{[1
]}

KONDRU, RK ^{[1
]}

MATHUR, P ^{[1
]}

机构：

[1] INDIAN INST TECHNOL,DEPT CHEM,BOMBAY 400076,INDIA

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 1994年 / 470卷 / 1-2期

关键词：

IRON; RUTHENIUM; SELENIUM; CARBONYL; CLUSTER; MOLECULAR ORBITAL CALCULATIONS;

D O I：

10.1016/0022-328X(94)80162-2

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Molecular orbital calculations using the extended Huckel program were carried out on Fe4(CO)10(mu-CO)(mu4-Se)2 and Fe3Ru(CO)10(mu-CO)(mu4-Se)2. On the basis of a molecular orbital description, binding energy, polarity and the metal-metal bond order were found to decrease on substitution of one Fe atom of Fe4(CO)10(mu-CO)(mu4-Se)2 by a Ru atom.

引用

收藏

页码：169 / 171

页数：3

相关论文

共 10 条

[1] CLUSTER SYNTHESIS .23. THE SYNTHESIS, STRUCTURE AND BONDING OF FE4(CO)10(MU-CO)(MU-4-S)2 [J].

ADAMS, RD ;

BABIN, JE ;

ESTRADA, J ;

WANG, JG ;

HALL, MB ;

LOW, AA .

POLYHEDRON, 1989, 8 (15) :1885-1890

[2]

Compton N.A., 1990, ADV ORGANOMET CHEM, V31, P91

[3] SYNTHESIS AND CHARACTERIZATION OF NOVEL SELENIUM-CONTAINING CLUSTERS - CRYSTAL-STRUCTURES OF [RU4(MU-4-SE)2(CO)8(MU-CO)3] AND [RU3(MU-3-SE)2(CO)7(PH2P(CH2)3PPH2)] [J].

JOHNSON, BFG ;

LAYER, TM ;

LEWIS, J ;

MARTIN, A ;

RAITHBY, PR .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1992, 429 (03) :C41-C45

[4] FACILE SYNTHESIS OF RU4(CO)10(MU-CO)(MU-4-SE)2 AND ITS REACTIONS WITH PHOSPINE LIGANDS [J].

MATHUR, P ;

HOSSAIN, MM ;

RASHID, RS .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1993, 448 (1-2) :211-214

[5] SYNTHESIS AND CHARACTERIZATION OF THE NEW CLUSTERS RU4(CO)11(MU-4-TE)2, RU3(CO)6(PPH3)3(MU-3-TE)2, RU4(CO)10(PPH3)(MU-4-TE)2, AND RU4(CO)9(MU-PH2PCH2PPH2)(MU-4-TE)2 [J].

MATHUR, P ;

THIMMAPPA, BHS ;

RHEINGOLD, AL .

INORGANIC CHEMISTRY, 1990, 29 (23) :4658-4665

[6]

MATHUR P, IN PRESS J ORGANOMET

[7]

MATHUR P, 1993, J ORGANOMET CHEM, V60, P83

[8] NEW DEVELOPMENTS IN THE COORDINATION CHEMISTRY OF INORGANIC SELENIDE AND TELLURIDE LIGANDS [J].

ROOF, LC ;

KOLIS, JW .

CHEMICAL REVIEWS, 1993, 93 (03) :1037-1080

[9] THE INTERFACE OF MAIN GROUP AND TRANSITION-METAL CLUSTER CHEMISTRY [J].

WHITMIRE, KH .

JOURNAL OF COORDINATION CHEMISTRY, 1988, 17 (02) :95-203

[10]

1975, INT T ABLES XRAY CRY, V4