In the title coordination compound, [Mn(2)(C(14)H(8)O(4))(C(2)O(4))(C(10)H(14)N(4))(2)](n), the biphenyl-3,3'-dicarboxyl-ate and oxalate anions, both situated on inversion centres, function in a bridging mode, linking the dinuclear Mn(II) atoms into wave-like layers. Each 1,1'-(1,4-butane-1,4-di-yl)diimidazole ligand coordinates to two Mn(II) atoms located in adjacent layers via Mn-N coordination bonds, giving a three-dimensional network. As the methyl-ene groups can bend freely relative to each other due to the C atoms connected via single bonds, the 1,1'-(butane-1,4-di-yl)diimidazole ligand forms an S-shaped conformation, which makes the void in the three-dimensional network distorted.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983367 | PMC |
| http://dx.doi.org/10.1107/S1600536810035269 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Electronic, structural and nonlinear optical investigation of manganese carbonyl complexes of isatin derivatives by DFT.
J Mol Model
December 2024
Department of Chemistry, Faculty of Science, Ege University, TR-35100, Bornova, Izmir, Türkiye.
Context: Isatin-Schiff bases have wide applications in chemistry. The π conjugated electronic system and heterocylic structure of these materials make them valuable for use as photosensitized materials. The delocalization of π-electrons throughout the structure causes the UV-vis absorption spectra to shift to longer wavelengths.
View Article and Find Full Text PDFStructural insights into the initiation of free radical formation in the Class Ib ribonucleotide reductases in Mycobacteria.
Curr Res Struct Biol
September 2024
National Centre for Cell Science, SPPU Campus, Ganeshkhind, Pune, 411007, India.
Class I ribonucleotide reductases consisting of α and β subunits convert ribonucleoside diphosphates to deoxyribonucleoside diphosphates involving an intricate free radical mechanism. The generation of free radicals in the Class Ib ribonucleotide reductases is mediated by di-manganese ions in the β subunits and is externally assisted by flavodoxin-like NrdI subunit. This is unlike Class Ia ribonucleotide reductases, where the free radical generation is initiated at its di-iron centre in the β subunits with no external support from another subunit.
View Article and Find Full Text PDFBinuclear Coordination Assemblies of Metal Tetraphenylporphyrins (M = Mn, Fe, and In) with Anionic Thioindigo Bridges as Promising Magnetic Systems with Tunable Properties.
Inorg Chem
December 2024
Federal Research Center of Problems of Chemical Physics and Medical Chemistry RAS, Chernogolovka, Moscow region 142432, Russia.
A series of hybrids comprising two metal (Mn, Fe, and In) tetraphenylporphyrins axially substituted with anionic bidentate -thioindigo ligands (TI) were obtained. Substitution of the axial chloride anion by an oxygen atom of the dye forms short M-O bonds. Crystalline binuclear assemblies (TI)·{[MnTPP]·[MnTPP]}·CHCl ( = 2 for or 1 for ) and (TI){[MTPP]}·CHCl (M = Fe and = 2 for , M = In and = 1 for ) were synthesized.
View Article and Find Full Text PDFMechanistic elucidation of O production from BuOOH in water using the Mn(II) catalyst [Mn(mcbpen)(HO)]: a DFT study.
Dalton Trans
August 2024
Research School of Chemistry, Australian National University, Canberra, Australia.
This study employs density functional theory at the SMD/B3LYP-D3/6-311+G(2d,p),def2-TZVPP//SMD/B3LYP-D3/6-31G(d),SDD level of theory to explore the mechanistic details of O generation from BuOOH, using HO as the solvent, in the presence of the Mn(II) catalyst [Mn(mcbpen)(HO)]. Since this chemistry was reported to occur through the reaction of Mn(III)(μ-O)Mn(IV)-O˙ with water, we first revaluated this proposal and found that it occurs with an activation barrier greater than 36 kcal mol, ruling out the functioning of such a dimer as the active catalyst. Experimental evidence has shown that the oxidation of [Mn(mcbpen)(HO)] by BuOOH in HO produces the Mn(IV) species [Mn(O)(mcbpen)].
View Article and Find Full Text PDFSimulating Metal-Imidazole Complexes.
J Chem Theory Comput
August 2024
Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States.
One commonly observed binding motif in metalloproteins involves the interaction between a metal ion and histidine's imidazole side chains. Although previous imidazole-M(II) parameters established the flexibility and reliability of the 12-6-4 Lennard-Jones (LJ)-type nonbonded model by simply tuning the ligating atom's polarizability, they have not been applied to multiple-imidazole complexes. To fill this gap, we systematically simulate multiple-imidazole complexes (ranging from one to six) for five metal ions (Co(II), Cu(II), Mn(II), Ni(II), and Zn(II)) which commonly appear in metalloproteins.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!