A theoretical study on the unusual square-planar structure of bis(imino)pyridine-ligated Group 13 complexes

2017 ◽  
Vol 46 (1) ◽  
pp. 106-115 ◽  
Author(s):  
Weiyi Li ◽  
Yajing Lyu ◽  
Huifang Zhang ◽  
Maoqin Zhu ◽  
Hanping Tang
Keyword(s):  
Strain Energy ◽  
Theoretical Study ◽  
Small Strain ◽  
Planar Structure ◽  
Group 13 ◽  
Square Planar

The stronger aromaticity of the M-imidazolate ring and the small strain energy on the ligand backbone collectively drive the square-planar structure.

scholarly journals Capturing a Square Planar Gold(III) Complex Inside a Platinum Nanocage: A Combined Experimental and Theoretical Study

2019 ◽  
Vol 58 (5) ◽  
pp. 3189-3195 ◽  
Author(s):  
Emmanuel Puig ◽  
Christophe Desmarets ◽  
Geoffrey Gontard ◽  
Marie Noelle Rager ◽  
Andrew L. Cooksy ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Square Planar

Nickel(II) complexes of some o-hydroxyarylcarbonyl compounds. II. Some 5-substituted 2-hydroxyaryl ketones

1968 ◽  
Vol 21 (4) ◽  
pp. 907 ◽  
Author(s):  
DP Graddon ◽  
GM Mockler
Keyword(s):  
High Spin ◽  
Planar Structure ◽  
Monomeric Form ◽  
Equilibrium Studies ◽  
Molecular Weights ◽  
Square Planar ◽  
Two Stages

Nickel(11) complexes of the type NiL2Bn have been prepared where L = 2-hydroxy-5-methylacetophenone, 2-hydroxy-5-methylbenzophenone, or 5-chloro-2-hydroxybenzophenone; B = H2O or 4-methylpyridine; n = 2 or 0. The properties of these compounds closely resemble those of the unsubstituted compounds described in Part I. Molecular weights of the anhydrous compounds NiL, indicate a monomer-polymer equilibrium in non-donor solvents, the solute being almost wholly monomeric at concentrations below 10-2M. Equilibrium studies in 2.5M 10-8M solution show that NiL2 reacts with 4-methylpyridine in two stages with a five-coordinate intermediate NiL2B, analogous to corresponding copper(11) complexes. The properties of the monomeric form of NiL, are consistent with a high-spin square-planar structure.

scholarly journals Bis(μ-diisopropylphosphanido-κ2 P:P)bis[hydrido(triisopropylphosphane-κP)platinum(II)]

2012 ◽  
Vol 68 (6) ◽  
pp. m808-m808
Author(s):  
Nicole Arnold ◽  
Holger Braunschweig ◽  
Alexander Damme
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
The Other ◽  
Planar Structure ◽  
Square Planar

In the centrosymmetric molecular structure of the title compound [Pt2(C6H14P)2H2(C9H21P)2], each PtII atom is bound on one side to a phosphane ligand (PiPr3) and a hydrido ligand. On the other side, it is bound to two phosphanide ligands (μ-PiPr2), which engage a bridging position between the two PtII atoms, forming a distorted square-planar structure motif. The Pt...Pt distance is 3.6755 (2) Å. A comparable molecular structure was observed for bis(μ-di-tert-butylphosphanido)bis[hydrido(triethylphosphane)platinum(II)] [Itazaki et al. (2004). Organometallics, 23, 1610–1621].

Synthesis and Photophysical Study of Divalent Complexes of Chelating Schiff Base

2020 ◽  
Vol 1 (01) ◽  
pp. 5-16
Author(s):  
Alaa A. Rashad ◽  
Farah Muaiad ◽  
Ahmed Ahmed ◽  
EkhlasA. Salman ◽  
Evon Akram
Keyword(s):  
Schiff Base ◽  
Surface Morphology ◽  
Theoretical Study ◽  
Energy Gap ◽  
Photophysical Properties ◽  
Schiff Base Complex ◽  
Tetrahedral Geometry ◽  
Force Microscopy ◽  
Atomic Force ◽  
Square Planar

 Background: Schiff base compounds derivative from1,2,4-triazole, and their transition metal complexes play an essential role in coordination and bioinorganic chemistry due to biological and industrial applications. Objective: The work aims to prepare and characterize of 1, 2, 4-triazole Schiff base and its complexes with a theoretical study using  PM3 calculation and HyperChem program, photophysical properties, and surface morphology for these complexes. Methods: 1, 2, 4-triazole Schiff base prepared by condensation reaction between  4-Amino-3-mercapto-5-phenyl-4H-1,2,4-triazole and 2-hydroxy-1-naphthaldehyde, then Schiff base reacted with Co2+, Ni2+,  and Cu2+ ions,   the synthesized 1, 2, 4-triazole Schiff base, and its complexes were characterized by infrared spectra, magnetic susceptibility, conductivity measurements, photophysical properties, and surface morphology measured by atomic force microscopy. The practical results were reinforced with a theoretical study for these Schiff base complexes. Then the proposed structures of the prepared complexes. Results: 1, 2, 4-triazole Schiff base act as a chelate ligand. The coordination has occurred through the oxygen of the phenolic group O-H and the nitrogen of the imine group N=C of Schiff base with divalent metal ions. Cobalt complex has a tetrahedral geometry, while the nickel and copper complexes have square planar geometries. The stability of all compounds was studied by calculating the energy gap by diffuse reflectance spectroscopy and theoretical calculations. Copper Schiff base is a more stable complex due to the lower value of the energy gap, and the copper Schiff base complex is more semiconductivity than the other complexes. Surface morphology, properties of chelating  Schiff base ligand and its complexes measured by atomic force microscopy, cobalt Schiff base complex is higher roughness. The bond length of (-C=N-), (-C-O-),(M-O), and (M-N)  are affected in the coordination with metal ions, the bond length of the square planar geometry more affected than tetrahedral geometry. Conclusion: All compounds were prepared successfully, characterized, and photophysical properties were studied.  

Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes

2014 ◽  
Vol 43 (21) ◽  
pp. 7945-7957 ◽  
Author(s):  
Forogh Adhami ◽  
Maliheh Safavi ◽  
Maryam Ehsani ◽  
Sussan K. Ardestani ◽  
Franziska Emmerling ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cytotoxic Activity ◽  
Cell Lines ◽  
Cancer Cell ◽  
Human Cancer ◽  
Planar Structure ◽  
Human Cancer Cell ◽  
Human Cancer Cell Lines ◽  
Square Planar ◽  
Benzamide Derivatives

Novel Cu2+complexes with a square planar structure synthesized from benzamide derivatives showed cytotoxic activity against different human cancer cell lines.

Design and Structure Analysis of Artificial Metalloproteins:  Selective Coordination of His64 to Copper Complexes with Square-Planar Structure in theapo-Myoglobin Scaffold

2007 ◽  
Vol 46 (13) ◽  
pp. 5137-5139 ◽  
Author(s):  
Satoshi Abe ◽  
Takafumi Ueno ◽  
Pattubala A. N. Reddy ◽  
Seiji Okazaki ◽  
Tatsuo Hikage ◽  
...  
Keyword(s):  
Structure Analysis ◽  
Copper Complexes ◽  
Planar Structure ◽  
Square Planar

Finite Element Formulation for Dynamic Analysis of Planar Flexible Beams With Finite Rotations

1993 ◽  
Author(s):  
M. Iura
Keyword(s):  
Dynamic Analysis ◽  
Strain Energy ◽  
Inertial Frame ◽  
Nonlinear Dynamic Analysis ◽  
Small Strain ◽  
Special Technique ◽  
Element Formulation ◽  
Rotating Frame ◽  
Flexible Beams ◽  
Finite Rotations

Abstract An efficient formulation for dynamic analysis of planar Timoshenko’s beam with finite rotations is presented. Both an inertial frame and a rotating frame are introduced to simplify computational manipulation. The kinetic energy of the system is obtained by using the inertial frame so that it takes a quadratic uncoupled form. The rotating frame together with the small strain assumption is employed to derive the strain energy of the system. Since the exact solutions for linear static theory of Timoshenko’s beam are employed to obtain the strain energy, the present stiffness operator is free from the shear locking without using any special technique. Nonlinear effects appear only in the transformation of displacement components between global and local coordinates. This results in a drastic simplification of nonlinear dynamic analysis of flexible beams. Numerical examples, including a planar mechanism, demonstrate the accuracy and efficiency of the present formulation.

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