Synthesis, Hirshfeld surface analysis, luminescence and thermal properties of three first‐row transition metal complexes containing 4′‐hydroxy‐2,2′:6′,2″‐terpyridine: Application for preparation of nano metal oxides

2020 ◽  
Vol 34 (5) ◽  
Author(s):  
Badri Z. Momeni ◽  
Farzaneh Rahimi ◽  
Maryam Torrei ◽  
Frank Rominger
Keyword(s):  
Thermal Properties ◽  
Transition Metal ◽  
Metal Complexes ◽  
Metal Oxides ◽  
Surface Analysis ◽  
Transition Metal Complexes ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis

scholarly journals Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids

2019 ◽  
Vol 75 (9) ◽  
pp. 1319-1326
Author(s):  
Natthaya Meundaeng ◽  
Timothy John Prior ◽  
Apinpus Rujiwatra
Keyword(s):  
Carboxylic Acid ◽  
Transition Metal ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Surface Analysis ◽  
Transition Metal Complexes ◽  
Self Assembly ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Single Crystal Structures

The crystal structures of five new transition-metal complexes synthesized using thiazole-2-carboxylic acid (2-Htza), imidazole-2-carboxylic acid (2-H2ima) or 1,3-oxazole-4-carboxylic acid (4-Hoxa), namely diaquabis(thiazole-2-carboxylato-κ2 N,O)cobalt(II), [Co(C4H2NO2S)2(H2O)2], 1, diaquabis(thiazole-2-carboxylato-κ2 N,O)nickel(II), [Ni(C4H2NO2S)2(H2O)2], 2, diaquabis(thiazole-2-carboxylato-κ2 N,O)cadmium(II), [Cd(C4H2NO2S)2(H2O)2], 3, diaquabis(1H-imidazole-2-carboxylato-κ2 N 3,O)cobalt(II), [Co(C4H2N2O2)2(H2O)2], 4, and diaquabis(1,3-oxazole-4-carboxylato-κ2 N,O 4)cobalt(II), [Co(C4H2NO3)2(H2O)2], 5, are reported. The influence of the nature of the heteroatom and the position of the carboxyl group in relation to the heteroatom on the self-assembly process are discussed based upon Hirshfeld surface analysis and used to explain the observed differences in the single-crystal structures and the supramolecular frameworks and topologies of complexes 1–5.

scholarly journals Crystal structure, physicochemical properties, Hirshfeld surface analysis and antibacterial activity assays of transition metal complexes of 6-methoxyquinoline

2018 ◽  
Vol 42 (9) ◽  
pp. 7166-7176 ◽  
Author(s):  
C. Villa-Pérez ◽  
I. C. Ortega ◽  
A. Vélez-Macías ◽  
A. M. Payán ◽  
G. A. Echeverría ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Antibacterial Activity ◽  
Transition Metal ◽  
Physicochemical Properties ◽  
Metal Complexes ◽  
Surface Analysis ◽  
Transition Metal Complexes ◽  
Biological Properties ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis

Five complexes with 6-methoxyquinoline have been synthesized; their structural, spectroscopic, photophysical and biological properties have been studied.

Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines

CrystEngComm ◽  
2021 ◽  
Author(s):  
Marissa K. Melvin ◽  
Brian W. Skelton ◽  
Paul K. Eggers ◽  
Colin L. Raston
Keyword(s):  
Transition Metal ◽  
Surface Analysis ◽  
Coordination Complexes ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Metal Coordination ◽  
Metal Carboxylate ◽  
X Ray Diffraction ◽  
X Ray ◽  
Directing Effect

Single X-ray diffraction studies and Hirshfeld surface analysis of three transition metal coordination complexes of Py5Me2COOH reveals the ligand's diverse coordination utility and the structure directing effect of the carboxylate moiety.

Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)

CrystEngComm ◽  
2016 ◽  
Vol 18 (6) ◽  
pp. 1009-1023 ◽  
Author(s):  
Ghodrat Mahmoudi ◽  
Alfonso Castiñeiras ◽  
Piotr Garczarek ◽  
Antonio Bauzá ◽  
Arnold L. Rheingold ◽  
...  
Keyword(s):  
Transition Metal ◽  
Dft Calculations ◽  
Metal Ions ◽  
Surface Analysis ◽  
Transition Metal Ions ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
X Ray ◽  
Thiosemicarbazone Complexes

Herein we report the synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of seven complexes of transition metal ions with pyridine-based thiosemicarbazone ligands.

Synthesis, structural characterization, EPR spectroscopy and Hirshfeld surface analysis of a novel Cu2+-doped 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane bis(perchlorate)

2019 ◽  
Vol 75 (6) ◽  
pp. 616-622 ◽  
Author(s):  
Jan Moncol ◽  
Milan Mazúr ◽  
Marian Valko ◽  
Jong-Ha Choi
Keyword(s):  
Metal Complexes ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Macrocyclic Ligand ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Ligand Field ◽  
Paramagnetic Resonance ◽  
Hiv Drugs ◽  
Anti Hiv

Cyclam derivatives and their metal complexes have been found to exhibit an anti-HIV effect and stimulate the activity of stem cells from bone marrow. The strength of their binding to the CXCR4 receptor correlates with anti-HIV and stem-cell activities. Knowledge of the conformation and crystal packing of various macrocyclic metal complexes has become important in developing new effective anti-HIV drugs. The synthesis and preparation of single crystals of a new Cu2+-doped macrocyclic compound, (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) bis(perchlorate)–3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane bis(perchlorate) (0.69/0.31), {[Cu(C22H44N4)](ClO4)2}0.69·(C22H46N4 2+·2ClO4 −)0.31, is reported. Characterization by X-ray diffraction analysis shows that the asymmetric unit contains half of a centrosymmetric molecule. The macrocyclic ligand in the compound adopts the most stable trans-III conformation. The Cu—N distances of 2.015 (3) and 2.047 (3) Å are normal, but the long axial Cu—O bond of 2.795 (3) Å may be due to a combination of the Jahn–Teller effect and the strong in-plane ligand field. The crystal structure is stabilized by hydrogen bonding between secondary N—H groups, the N atoms of the macrocycle and the O atoms of the perchlorate anions. Hirshfeld surface analysis with 2D (two-dimensional) fingerprint plots indicates that the main contributions to the crystal packing are from H...H (58.0%) and H...O/O...H (41.9%) interactions. Electron paramagnetic resonance (EPR) properties are also described.

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