scholarly journals Synthesis, crystal structure, and magnetic properties of a nitronyl nitroxide biradical-coordinated copper(II) complex

2020 ◽  
pp. 174751982098253
Author(s):  
Yan-Li Gao ◽  
Pingqiang Gao ◽  
Ying Gong ◽  
Guoyu Ren
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Coordination Compound ◽  
Building Blocks ◽  
Nitronyl Nitroxide ◽  
Single Crystal Diffraction ◽  
Group Oxygen ◽  
Group Oxygen Atom ◽  
Susceptibility Study ◽  
Ferromagnetic Interactions

A coordination compound constructed from a nitronyl nitroxide biradical NITPh(3-NIT) and CuII(hfac)2(H2O)2 building blocks [NITPh(3-NIT) = 1,3-bis(1′-oxyl-3′-oxido-4′,4′, 5′, 5′-tetramethyl-4,5-dihydro-1 H-imidazol-2-y1)-benzene, hfac = hexafluoroacetylacetonato] is successfully synthesized. The crystal structure is determined by X-ray single-crystal diffraction. The asymmetric complex {[(NITPh(3-NIT)]Cu(hfac)2} consists of one Cu(II) ion and two >N–O• groups and adopts a distorted triangular bipyramid with a penta-coordinated central copper(II) atom and three hfac oxygen atoms at the base and a >N–O• oxygen atom and one hfac oxygen atom at the apices. Intramolecular O. . .O bonding and π–π stacking interactions are observed between molecules. A magnetic susceptibility study of the coordination compound shows antiferromagnetic interactions between Cu(II) ions and >N–O• groups and very weak ferromagnetic interactions between Cu(II) ions and the free >N–O• group through O. . .O bonding between the nitroxide group oxygen atom and the oxygen atom of hfac.

Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene

CrystEngComm ◽  
2019 ◽  
Vol 21 (21) ◽  
pp. 3251-3255 ◽  
Author(s):  
Vinko Nemec ◽  
Luka Fotović ◽  
Toni Vitasović ◽  
Dominik Cinčić
Keyword(s):  
Oxygen Atom ◽  
Halogen Bond ◽  
Halogen Bonding ◽  
Aromatic Aldehydes ◽  
Aldehyde Group ◽  
Group Oxygen ◽  
Group Oxygen Atom

Novel halogen bonded cocrystals of aromatic aldehydes have been synthesized. We present the halogen bond acceptor potential of the aldehyde group oxygen atom in competition with the hydroxy, methoxy and pyridine groups.

Change in the hybridization of the N→O group oxygen atom upon complex formation of pyridine and quinoline N-oxides with v-acceptors

2008 ◽  
Vol 78 (5) ◽  
pp. 973-983 ◽  
Author(s):  
V. P. Andreev ◽  
V. V. Vapirov ◽  
Ya. P. Nizhnik ◽  
L. A. Aleshina ◽  
T. A. Semenova
Keyword(s):  
Complex Formation ◽  
Oxygen Atom ◽  
Group Oxygen ◽  
Group Oxygen Atom

A new molecular building blocks: Synthesis, crystal structure, magnetic and spectroscopic properties of Cu(II) and Ni(II) macrocyclic complexes

Polyhedron ◽  
2011 ◽  
Vol 30 (15) ◽  
pp. 2550-2557 ◽  
Author(s):  
Katarzyna Suracka ◽  
Alina Bieńko ◽  
Jerzy Mroziński ◽  
Rafał Kruszyński ◽  
Dariusz Bieńko ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Building Blocks ◽  
Spectroscopic Properties ◽  
Macrocyclic Complexes ◽  
Molecular Building Blocks

A new three-dimensional anionic cadmium(II) dicyanamide network

2014 ◽  
Vol 70 (11) ◽  
pp. 1054-1056 ◽  
Author(s):  
Qiang Li ◽  
Hui-Ting Wang
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Unit Cell Volume ◽  
Three Dimensional ◽  
Building Blocks ◽  
The Other ◽  
Dimensional Structure ◽  
Cadmium Nitrate ◽  
Nitrate Tetrahydrate ◽  
Anionic Framework

A new cadmium dicyanamide complex, poly[tetramethylphosphonium [μ-chlorido-di-μ-dicyanamido-κ4N1:N5-cadmium(II)]], [(CH3)4P][Cd(NCNCN)2Cl], was synthesized by the reaction of tetramethylphosphonium chloride, cadmium nitrate tetrahydrate and sodium dicyanamide in aqueous solution. In the crystal structure, each CdIIatom is octahedrally coordinated by four terminal N atoms from four anionic dicyanamide (dca) ligands and by two chloride ligands. The dicyanamide ligands play two different roles in the building up of the structure; one role results in the formation of [Cd(dca)Cl]2building blocks, while the other links the building blocks into a three-dimensional structure. The anionic framework exhibits a solvent-accessible void of 673.8 Å3, amounting to 47.44% of the total unit-cell volume. The cavities in the network are occupied by pairs of tetramethylphosphonium cations.

scholarly journals Crystal structure of a new lithium iron vanadate

2014 ◽  
Vol 70 (a1) ◽  
pp. C1101-C1101
Author(s):  
Laurent Castro ◽  
Nicolas Penin ◽  
Dany Carlier ◽  
Alain Wattiaux ◽  
Stanislav Pechev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Magnetic Measurements ◽  
Charge Compensation ◽  
Li Ion Batteries ◽  
New Materials ◽  
Single Crystal Diffraction ◽  
Structural Relationships ◽  
Network Flexibility ◽  
Li Ion

Iron vanadates and phosphates have been widely explored [1-2] as possible electrode material for Li-ion batteries. In the goal of finding new materials, our approach was to consider existing materials and to investigate the flexibility of their network for possible substitutions. Among the different materials containing iron and vanadium, Cu3Fe4(XO4)6 (X = P, V) are isostructural to Fe7(PO4)6. Lafontaine et al. [3] discussed the structural relationships between β-Cu3Fe4(VO4)6 and several other vanadates, phosphates and molybdates of general formula AxBy(VO4)6. The interesting network flexibility was then demonstrated with the existence of four different crystallographic sites, which can be partially occupied depending on the x+y value : x+y = 7 for β-Cu3Fe4(VO4)6) and x+y = 8 for NaCuFe2(VO4)3. The LixFey(VO4)6 phase was then prepared considering the substitution of Li+ and Fe3+ for Cu2+ ions in β-Cu3Fe4(VO4)6 and the existence of an extra site to accommodate the charge compensation (7 ≤ x+y ≤ 8). As expected, a new lithium iron vanadate, isotructural to mineral Howardevansite was then obtained. Single crystal diffraction data were collected at room temperature on Enraf-Nonius CAD-4 diffractometer. Structure was refined with JANA-2006 program package. Mössbauer and magnetic measurements were also used to check the oxidation state of iron ions, to support the obtained crystal structure and to consider any possible structural/magnetic transitions. All the results will be presented and discussed in this presentation.

Synthesis, crystal structure and magnetism of centrosymmetric linear trinuclear copper(II) complex of pyridine nitronyl nitroxide derivative

2004 ◽  
Vol 357 (2) ◽  
pp. 581-587 ◽  
Author(s):  
Chandrasekar Rajadurai ◽  
Sergei Ostrovsky ◽  
Karsten Falk ◽  
Volker Enkelmann ◽  
Wolfgang Haase ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitronyl Nitroxide

Synthesis, crystal structure, vibrational study, optical properties and Hirshfeld surface analysis of a new centrosymmetric hybrid material, bis(3-aminoquinolium) tetrachloridocobaltate (II)

2021 ◽  
Vol 05 ◽  
Author(s):  
Maha Said ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
New Technologies ◽  
Hirshfeld Surface ◽  
Material Behavior ◽  
Hirshfeld Surface Analysis ◽  
Single Crystal Diffraction ◽  
Hybrid Compound ◽  
Vibrational Study ◽  
Structural Database

Background: The title compound (C9H9N2)2[CoCl4] belongs to a large compound’s family, enriching the new technologies materials range. Objective: The chemical synthesis and the crystal structure are the main goals to reach in this study. In addition, the optoelectronic properties and the material behavior are investigated. Methods: The single-crystal diffraction, photoluminescence, infrared spectroscopy, and several computations are applied in this work to characterize the studied compound. Results: At room temperature, the synthesized (C9H9N2)2[CoCl4] crystallizes in the monoclinic C2/c space group. The cohesion of the 0-D crystal structure is ensured by hydrogen interactions and confirmed by the Hirshfeld surface analysis. Conclusion: A new hybrid compound is discovered and added to the structural database ICDD. The structural study, the spectroscopic investigations, particularly the photoluminescence, indicate that the newly obtained material is promising for interesting application as a non-linear optical material.

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