Electronic communication between carbon chain bridged metals: a theoretical approach. Even Chains

被引:57
作者
Belanzoni, P
Re, N
Sgamellotti, A
Floriani, C
机构
[1] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
[2] Univ Perugia, Ctr Studio Calcolo Intens Sci, CNR, I-06123 Perugia, Italy
[3] Univ Lausanne, BCH, Inst Chim Minerale & Analyt, CH-1015 Lausanne, Switzerland
来源
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1998年 / 11期
关键词
D O I
10.1039/a800770e
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
A theoretical investigation (DFT) allowed us to single out the most appropriate valence structure for the [M-C-x-M] unit in a variety of model compounds [{Cp(CO)(2)M}(2)(mu-C-x)] (M = Cr, Mn or Fe; x = 2-8) and to foresee it on the basis of the molecular parameters, such as (i) the chain length, () the nature of the metal and its oxidation state, (iii) the d " configuration and the metal co-ordination number. The valence structure of the [M-C-x-M] unit is diagnostic of the metal-to-metal communication. A simple electron-counting scheme has been developed to predict the valence structure, based on the d " configuration of the MLm fragments and the number of electrons of the linear C-x unit.
引用
收藏
页码:1825 / 1835
页数:11
相关论文
共 79 条
[1]   REACTION OF THE CATIONIC DIIRON MU-ETA-1-ETA-2-ACETYLIDE COMPLEXES [(FP)2(C=CR)]BF4 (R = H, PH) WITH NAOME [J].
AKITA, M ;
TERADA, M ;
OYAMA, S ;
SUGIMOTO, S ;
MOROOKA, Y .
ORGANOMETALLICS, 1991, 10 (05) :1561-1568
[2]   STRUCTURE AND REACTIVITY OF C2 SPECIES ON POLYMETALLIC SYSTEMS [J].
AKITA, M ;
MOROOKA, Y .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1995, 68 (02) :420-432
[3]  
[Anonymous], CHEM PHYS
[4]  
[Anonymous], [No title captured], DOI DOI 10.1016/0021-9991(92)90277-6
[5]  
BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169
[6]  
BAERENDS EJ, 1975, CHEM PHYS, V8, P41
[7]  
BAERENDS EJ, 1973, CHEM PHYS, V2, P51
[8]  
Bartik B, 1997, NEW J CHEM, V21, P739
[9]   A step-growth approach to metal-capped one-dimensional carbon allotropes: Syntheses of C-12, C-16, and C-20 mu-polyynediyl complexes [J].
Bartik, T ;
Bartik, B ;
Brady, M ;
Dembinski, R ;
Gladysz, JA .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1996, 35 (04) :414-417
[10]   METHODS FOR THE SYNTHESIS OF MU-HYDROCARBON TRANSITION-METAL COMPLEXES WITHOUT METAL-METAL BONDS [J].
BECK, W ;
NIEMER, B ;
WIESER, M .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1993, 32 (07) :923-949