Density Functional Investigation of Metal−Metal Interactions in Mixed-Valence d2d3(Cr, Mo, W) and d3d4(Mn, Tc, Re) Face-Shared [M2Cl9]2-Systems

2004 ◽  
Vol 43 (21) ◽  
pp. 6734-6744 ◽  
Author(s):  
Germán Cavigliasso ◽  
Peter Comba ◽  
Robert Stranger
Keyword(s):  
Density Functional ◽  
Mixed Valence ◽  
Metal Interactions ◽  
Metal Metal ◽  
Functional Investigation

Density Functional Investigation of Metal—Metal Interactions in d4d4 Face-Shared [M2Cl9]3- (M: Mn, Tc, Re) Systems.

ChemInform ◽  
2004 ◽  
Vol 35 (22) ◽  
Author(s):  
German Cavigliasso ◽  
Robert Stranger
Keyword(s):  
Density Functional ◽  
Metal Interactions ◽  
Metal Metal ◽  
Functional Investigation

Density Functional Investigation of Metal−Metal Interactions in d4d4Face-Shared [M2Cl9]3-(M = Mn, Tc, Re) Systems

2004 ◽  
Vol 43 (7) ◽  
pp. 2368-2378 ◽  
Author(s):  
Germán Cavigliasso ◽  
Robert Stranger
Keyword(s):  
Density Functional ◽  
Metal Interactions ◽  
Metal Metal ◽  
Functional Investigation

Tuning of Metal–Metal Interactions in Mixed-Valence States of Cyclometalated Dinuclear Ruthenium and Osmium Complexes Bearing Tetrapyridylpyrazine or -benzene

2014 ◽  
Vol 33 (18) ◽  
pp. 4893-4904 ◽  
Author(s):  
Takumi Nagashima ◽  
Takuya Nakabayashi ◽  
Takashi Suzuki ◽  
Katsuhiko Kanaizuka ◽  
Hiroaki Ozawa ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Metal Interactions ◽  
Valence States ◽  
Metal Metal ◽  
Dinuclear Ruthenium ◽  
Osmium Complexes

Linear Chain Bis(α,β-dionedioximato)metal Compounds of the Nickel Triad: Solid State Design by Molecular Engineering

1977 ◽  
Vol 32 (5) ◽  
pp. 516-527 ◽  
Author(s):  
H. Endres ◽  
H. J. Keller ◽  
R. Lehmann ◽  
A. Poveda ◽  
H. H. Rupp ◽  
...  
Keyword(s):  
Solid State ◽  
Linear Chain ◽  
Mixed Valence ◽  
Structural Data ◽  
Molecular Engineering ◽  
Complex Molecules ◽  
Metal Compounds ◽  
Metal Interactions ◽  
Wide Range ◽  
Metal Metal

Chemical and structural data of numerous bis(α,β-dionedioximato)metal(II) compounds are summarized. All of them crystallize in columns but principally two different kinds of molecular arrangements occur in the solids. In one phase the molecular planes are inclined to the direction of the linear metal chains with an angle different from 90°. This allows only indirect interactions between the metal ions via the ligand. (“M—L—M” stacking.) The other modification consists of molecules with their planes perpendicular to the M—M-chains. This form allows direct metal-metal contacts (“M—M” modification). Depending on a few molecular parameters a “M—L—M” or a “M—M” stacking is obtained upon crystallization. Since for those compounds which could be isolated in both modifications the M—L—M form has the higher density it is concluded that only stronger M—M interactions stabilize the less dense M—M forms.A wide range of metal-metal separations with a lower limit of 3.15 Å in mixed valence systems are found in different “M—M” compounds. In any case the intrachain metal-metal distances are reduced considerably upon oxidation of the bivalent complex molecules. The influence of “electronic” and “sterical” parameters of the complex molecules on the intermolecular metal interactions and on the type of columns in the solid state is discussed.

Ligand-Controlled Syntheses of Copper(I) Complexes with Metal–Metal Interactions: Crystal Structure and Relativistic Density Functional Theory Investigation

2014 ◽  
Vol 53 (20) ◽  
pp. 11068-11074 ◽  
Author(s):  
Jun-Feng Liu ◽  
Xue Min ◽  
Jin-Yu Lv ◽  
Fu-Xing Pan ◽  
Qing-Jiang Pan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Metal Interactions ◽  
Metal Metal

Metal−Metal Interactions in Mixed-Valence [M2Cl9]2-Species:  Electronic Structure of d1d2(V, Nb, Ta) and d4d5(Fe, Ru, Os) Face-Shared Systems

2005 ◽  
Vol 44 (14) ◽  
pp. 5081-5091 ◽  
Author(s):  
Germán Cavigliasso ◽  
Robert Stranger
Keyword(s):  
Electronic Structure ◽  
Mixed Valence ◽  
Metal Interactions ◽  
Metal Metal
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