Strains and stresses in coordination compounds

被引:100
作者
Comba, P [1 ]
机构
[1] Heidelberg Univ, Inst Anorgan Chem, D-69120 Heidelberg, Germany
关键词
ligand field; reduction potential; preorganization; entatic state; hexaamine; steric effects; steric strain; catalysis; molecular modeling;
D O I
10.1016/S0010-8545(98)00199-4
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The possible ways to induce strain in coordination compounds and the quantification of steric effects and their influence on molecular properties are discussed. Based on various specific examples, including cobalt(III), cobalt(II), iron(III) and iron(II) hexaamines and copper(II) and copper(I) tetraamines, observed and computed structural data are used to analyze the effects of extremely short and long bonds and of severe angular distortions on reactivities, complex stabilities, electronic and EPR spectra and reduction potentials. Methods that allow the prediction of these molecular properties, based on experimentally determined or computed structures, are described in detail. (C) 1999 Elsevier Science S.A. All rights reserved.
引用
收藏
页码:343 / 371
页数:29
相关论文
共 171 条
[1]   APPROACHES TO CHARGE CALCULATIONS IN MOLECULAR MECHANICS [J].
ABRAHAM, RJ ;
GRIFFITHS, L ;
LOFTUS, P .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :407-416
[2]   RAMAN-SPECTROSCOPY AS AN INDICATOR OF CU-S BOND-LENGTH IN TYPE-1 AND TYPE-2 COPPER CYSTEINATE PROTEINS [J].
ANDREW, CR ;
YEOM, H ;
VALENTINE, JS ;
KARLSSON, BG ;
BONANDER, N ;
VANPOUDEROYEN, G ;
CANTERS, GW ;
LOEHR, TM ;
SANDERSLOEHR, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (25) :11489-11498
[3]  
[Anonymous], INORGANIC CHEM
[4]   KINETICS OF THE REDUCTION OF NITRO TO HYDROXYLAMINE GROUPS BY DITHIONITE IN A COBALT(II) CRYPTAND COMPLEX - X-RAY-ANALYSIS OF [1,8-BIS(HYDROXYAMINO)-3,6,10,13,16,19-HEXAAZABICYCLO[6.6.6]EICOSANE]COBALT(III) CHLORIDE TETRAHYDRATE [J].
BALAHURA, RJ ;
FERGUSON, G ;
RUHL, BL ;
WILKINS, RG .
INORGANIC CHEMISTRY, 1983, 22 (26) :3990-3992
[5]  
Banci L, 1997, NATO ASI 3 HIGH TECH, V41, P191
[6]  
BANCI L, 1997, MODELING STRUCTURES
[7]  
BERNAUER K, 1976, TOP CURR CHEM, V65, P1
[8]   COORDINATION OF THE SEXIDENTATE MACROCYCLE 6,13-DIMETHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE-6,13-DIAMINE TO IRON(III) [J].
BERNHARDT, PV ;
COMBA, P ;
HAMBLEY, TW ;
LAWRANCE, GA .
INORGANIC CHEMISTRY, 1991, 30 (05) :942-946
[9]   6,13-DIAMINO-6,13-DIMETHYL-1,4,8,11-TETRA-AZACYCLOTETRADECANE, L7, A NEW, POTENTIALLY SEXIDENTATE POLYAMINE LIGAND - VARIABLE COORDINATION TO COBALT(III) AND CRYSTAL-STRUCTURE OF THE COMPLEX [CO(L7)]CL2[CLO4] [J].
BERNHARDT, PV ;
LAWRANCE, GA ;
HAMBLEY, TW .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1989, (06) :1059-1065
[10]   On the structure, electrochemistry, and spectroscopy of the (N,N'-bis(2'-(dimethylamino)ethyl)-N,N'-dimethylpropane-1,3-diamine)copper(II) ion [J].
Bernhardt, PV .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (04) :771-774