Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide

被引:47
作者
Benbellat, N
Rohmer, MM
Bénard, M
机构
[1] Chim Organ Lab, CNRS, UMR 7551, F-67000 Strasbourg, France
[2] Univ Strasbourg, F-67000 Strasbourg, France
关键词
D O I
10.1039/b106100n
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Spin unrestricted DFT calculations on Cr-3( dpa)(4)Cl-2 (dpa = dipyridylamide) suggest that the linear (Cr-3)(6+) metal framework could adopt either a symmetric conformation, or a strongly nonsymmetric one, depending on the nature of the spin coupling between the localized metal electrons.
引用
收藏
页码:2368 / 2369
页数:2
相关论文
共 12 条
[1]   Compounds with symmetrical tricobalt chains wrapped by dipyridylamide ligands and cyanide or isothiocyanate ions as terminal ligands [J].
Clérac, R ;
Cotton, FA ;
Jeffery, SP ;
Murillo, CA ;
Wang, XP .
INORGANIC CHEMISTRY, 2001, 40 (06) :1265-1270
[2]   Linear tricobalt compounds with Di(2-pyridyl)amide (dpa) ligands:: Temperature dependence of the structural and magnetic properties of symmetrical and unsymmetrical forms of Co3(dpa)4Cl2 in the solid state [J].
Clérac, R ;
Cotton, FA ;
Daniels, LM ;
Dunbar, KR ;
Kirschbaum, K ;
Murillo, CA ;
Pinkerton, AA ;
Schultz, AJ ;
Wang, XP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (26) :6226-6236
[3]  
Clérac R, 2000, INORG CHEM, V39, P748, DOI 10.1021/ic990793u
[4]   Structural and magnetic properties of Co3(dpa)4Br2 [J].
Clérac, R ;
Cotton, FA ;
Daniels, LM ;
Dunbar, KR ;
Murillo, CA ;
Wang, XP .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 2001, Royal Society of Chemistry (04) :386-391
[5]   Can crystal structure determine molecular structure?: For Co3(dpa)4Cl2, yes [J].
Cotton, FA ;
Murillo, CA ;
Wang, XP .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1999, (19) :3327-3328
[6]   BOND-STRETCH ISOMERISM IN TRANSITION-METAL COMPLEXES - A REEVALUATION OF CRYSTALLOGRAPHIC DATA [J].
PARKIN, G .
CHEMICAL REVIEWS, 1993, 93 (03) :887-911
[7]   DO BOND-STRETCH ISOMERS REALLY EXIST [J].
PARKIN, G .
ACCOUNTS OF CHEMICAL RESEARCH, 1992, 25 (10) :455-460
[8]   Bond stretch isomerism still elusive in linear trimetallic complexes.: DFT calculations on Co3(dipyridylamine)4Cl2 [J].
Rohmer, MM ;
Bénard, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (36) :9372-9373
[9]   Metal-metal bond length variability in Co3(dipyridylamide)4Cl2:: Bond-stretch isomerism, crystal field effects, or spin transition process?: A DFT study [J].
Rohmer, MM ;
Strich, A ;
Benard, M ;
Malrieu, JP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (37) :9126-9134
[10]  
ROHMER MM, IN PRESS CHEM SOC RE