anionic cluster
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2022 ◽  
Author(s):  
Jiao He ◽  
chenglong deng ◽  
Cunfa Sun ◽  
Xiao-Xiao Zhang ◽  
Ying Cui ◽  
...  

Bimetallic cluster ion pairs containing a quaternary phosphonium and an ultrasmall Cu2Ag3 anionic cluster protected by thiolates: (PPh3R″)[Cu2Ag3(SR′)6] (R′SH = cyclohexylthiol (CySH), R″ = Ph, 1; Me, 2; Et, 3;...


2021 ◽  
Vol 44 (02) ◽  
Author(s):  
NGUYEN MINH THAO ◽  
BUI THO THANH ◽  
NGUYEN THI LAN HUONG

The structures of ScGe6 and ScGe6− clusters were investigated by a combination of genetic algorithm with quantum chemical calculations (GA-DFT and DLPNO-CCSD(T)). Results show that the two most stable isomers of the ScGe6 cluster have a pentagonal bipyramid structure with a Sc atom at the vertex and a Ge atom capping the face of tetragonal bipyramid with a Sc atom at the vertex with Cs symmetry. The pentagonal bipyramid with the scandium atom at the vertex with C5v symmetry is the most stable ScGe6− cluster. The CO adsorption on the most stable isomer of the anionic cluster was studied by PBE functional. The isomer A1 of ScGe6− cluster can adsorb CO molecule as well. The most stable structure has CO along with the Sc-Ge bond. In two adsorption models at the Sc atom along the main axis, the Sc-CO adsorption model is more favorable than the Sc-OC model.


2021 ◽  
Vol 594 ◽  
pp. 759-769
Author(s):  
Alsu Khazieva ◽  
Kirill Kholin ◽  
Irek Nizameev ◽  
Konstantin Brylev ◽  
Ilya Kashnik ◽  
...  

2021 ◽  
Vol 16 (1) ◽  
pp. 17-22
Author(s):  
Xiao-Yu Gu ◽  
Jie Lin ◽  
Wen-Li Zhao ◽  
Ze-Chun Xue ◽  
Chuan-Sheng Cui ◽  
...  

With the increasing interest in polyoxometalates (POMs) materials over the past few decades, scientific researchers have focused their attention on the fruitful utilization of POMs hybrids as efficient catalysts in many organic reactions. In this paper, dipyridine amine (dpa) organic ligand hybrid polyoxomolybdate material was solvothermally synthesized and structurally identified by elemental analysis, X-ray diffraction and infrared spectrum. Structural refinement of the hybrid polyoxomolybdate compound 1 with general formula [Hdpa]4Mo8O26 · 2DMF (DMF = N,N-dimethylformamide) shows that compound 1 presents in the space group P-1 with triclinic system, and is built up from a well-known β-[Mo8O26]4– anionic cluster, four free protonated dpa cations and two free DMF molecules. Remarkably, the β-Mo8O26-based hybrid material was further applied as the catalyst in the conversion of sulfides utilizing hydrogen peroxide (30%) as green terminal oxidant and exhibited efficient catalytic activities for selective oxidation of sulfides.


IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
David M. Ermert ◽  
Milan Gembicky ◽  
Arnold L. Rheingold

The title compound, (C8H22N2O)2[Mo8O26]·H2O, (cis-H2 L)2[β-Mo8O26]·H2O, where L = (bis[2-N,N-dimethylamino)ethyl] ether), was synthesized from bis[2-(dimethylamino)ethyl] ether and MoO3 under solvothermal conditions and characterized by multinuclear NMR and single-crystal X-ray diffraction techniques. The structure displays two [oxybis(ethane-1,2-diyl)]bis(dimethylammonium), or [cis-H2 L]2+, cations, a central [β-Mo8O26]4− anionic cluster consisting of eight distorted MoO6 octahedra, and two water molecules in their deuterated form. The central anion lies across an inversion center. The [cis-H2 L]2+ cations are hydrogen bonded to the central [β-Mo8O26]4− cluster via bridging water molecules. In the crystal, O—H...O hydrogen bonds link the components into chains along [010]. Weak C—H...O hydrogen bonds link these chains into a three-dimensional network.


2019 ◽  
Vol 43 (41) ◽  
pp. 16338-16348 ◽  
Author(s):  
Maksim A. Mikhaylov ◽  
Alina D. Mironova ◽  
Konstantin A. Brylev ◽  
Taisiya S. Sukhikh ◽  
Ilia V. Eltsov ◽  
...  

Methylation of anionic cluster complexes [Re6Q8(CN)6]4− with ((CH3)3O)BF4 or CF3SO3CH3 afforded homoleptic isonitrile cluster complexes [Re6Q8(CH3NC)6]2+ (Q = S, Se, Te).


2017 ◽  
Vol 73 (11) ◽  
pp. 1712-1715 ◽  
Author(s):  
Sergey N. Britvin ◽  
Andrey M. Rumyantsev

The structure of a salt of diprotonatedendo-3-aminotropane crystallized with a copper(II) anionic cluster is reported,viz.(C8H18N2)[CuCl3(NO3)(H2O)]. Neither ion in the salt has been structurally characterized previously. In the crystal, the ions pack together to form a three-dimensional structure held together by a network of intermolecular N—H...O, O—H...Cl and N—H...Cl hydrogen-bonding interactions. Selective crystallization of the title compound can be considered as a simple method for the separation of theexoandendoisomers of 3-aminotropane.


2017 ◽  
Vol 73 (9) ◽  
pp. 710-717 ◽  
Author(s):  
Satish S. Bhat ◽  
Vidyanand K. Revankar ◽  
Naveen Shivalingegowda ◽  
N. K. Lokanath

A fluorophore-labelled copper(II) complex, aquabis(dimethylformamide-κO)(perchlorato-κO)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-f][1,10]phenanthroline]copper(II) perchlorate monohydrate, [Cu(ClO4)(C22H12N4O)(C3H7NO)2(H2O)]ClO4·H2O, has been synthesized and characterized. A cyclic hydrogen-bonded water–perchlorate anionic cluster, i.e. [(ClO4)2(H2O)2]2−, has been identified within the structure. Each cyclic anionic cluster unit is interconnected by hydrogen bonding to the cation. The cations join into an infinite hydrogen-bonded chain running in the [010] direction. Furthermore, interaction of the complex with calf-thymus DNA (CT-DNA) and cellular localization within the cells was explored. Spectroscopic studies indicate that the compound has a good affinity for DNA and stains the nucleus of the cells.


2017 ◽  
Vol 114 (10) ◽  
pp. 2580-2585 ◽  
Author(s):  
Cecilia Pozzi ◽  
Silvia Ciambellotti ◽  
Caterina Bernacchioni ◽  
Flavio Di Pisa ◽  
Stefano Mangani ◽  
...  

X-ray structures of homopolymeric L-ferritin obtained by freezing protein crystals at increasing exposure times to a ferrous solution showed the progressive formation of a triiron cluster on the inner cage surface of each subunit. After 60 min exposure, a fully assembled (μ3-oxo)Tris[(μ2-peroxo)(μ2-glutamato-κO:κO′)](glutamato-κO)(diaquo)triiron(III) anionic cluster appears in human L-ferritin. Glu60, Glu61, and Glu64 provide the anchoring of the cluster to the protein cage. Glu57 shuttles incoming iron ions toward the cluster. We observed a similar metallocluster in horse spleen L-ferritin, indicating that it represents a common feature of mammalian L-ferritins. The structures suggest a mechanism for iron mineral formation at the protein interface. The functional significance of the observed patch of carboxylate side chains and resulting metallocluster for biomineralization emerges from the lower iron oxidation rate measured in the E60AE61AE64A variant of human L-ferritin, leading to the proposal that the observed metallocluster corresponds to the suggested, but yet unobserved, nucleation site of L-ferritin.


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