Synthesis, spectral properties, in vitro α‐glucosidase inhibitory activity and quantum chemical calculations of novel mixed‐ligand M(II) complexes containing 1,10‐phenanthroline

2020 ◽  
Vol 34 (4) ◽  
Author(s):  
Davut Avcı ◽  
Sümeyye Altürk ◽  
Fatih Sönmez ◽  
Ömer Tamer ◽  
Adil Başoğlu ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Inhibitory Activity ◽  
Quantum Chemical ◽  
Spectral Properties ◽  
Mixed Ligand

Structural and spectral properties of tartrato complexes of vanadium(V) from quantum chemical calculations

2015 ◽  
Vol 134 (10) ◽  
Author(s):  
Gabriela Orešková ◽  
Lukáš Krivosudský ◽  
Ján Šimunek ◽  
Jozef Noga
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Spectral Properties

Spectral properties of bisphenol F based on quantum chemical calculations

Vacuum ◽  
2016 ◽  
Vol 128 ◽  
pp. 198-204 ◽  
Author(s):  
H. Wang ◽  
Y.P. Zhao ◽  
Y.J. Zhu ◽  
J.Y. Shen
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Spectral Properties ◽  
Bisphenol F

scholarly journals Synthesis, Biological, and Quantum Chemical Studies of Zn(II) and Ni(II) Mixed-Ligand Complexes Derived from N,N-Disubstituted Dithiocarbamate and Benzoic Acid

2016 ◽  
Vol 2016 ◽  
pp. 1-12 ◽  
Author(s):  
Anthony C. Ekennia ◽  
Damian C. Onwudiwe ◽  
Aderoju A. Osowole ◽  
Lukman O. Olasunkanmi ◽  
Eno E. Ebenso
Keyword(s):  
Benzoic Acid ◽  
Quantum Chemical Calculations ◽  
Electronic Spectra ◽  
Quantum Chemical ◽  
Antioxidant Properties ◽  
Mixed Ligand ◽  
Mixed Ligand Complexes ◽  
Coordination Behavior ◽  
Chemical Studies ◽  
Anti Inflammatory

Some mixed-ligand complexes of Zn(II) and Ni(II) derived from the sodium salt ofN-alkyl-N-phenyl dithiocarbamate and benzoic acid have been prepared. The complexes are represented as ZnMDBz, ZnEDBz, NiMDBz, and NiEDBz (MD:N-methyl-N-phenyl dithiocarbamate, ED:N-ethyl-N-phenyl dithiocarbamate, and Bz: benzoate); and their coordination behavior was characterized on the basis of elemental analyses, IR, electronic spectra, magnetic and conductivity measurements, and quantum chemical calculations. The magnetic moment measurement and electronic spectra were in agreement with the four proposed coordinate geometries for nickel and zinc complexes and were corroborated by the theoretical quantum chemical calculations. The quantum chemically derived thermodynamics parameters revealed that the formation ofN-methyl-N-phenyl dithiocarbamate complexes is more thermodynamically favourable than that of theN-ethyl-N-phenyl dithiocarbamate complexes. The bioefficacy of the mixed-ligand complexes examined against different microbes showed moderate to high activity against the test microbes. The anti-inflammatory and antioxidant studies of the metal complexes showed that the ethyl substituted dithiocarbamate complexes exhibited better anti-inflammatory and antioxidant properties than the methyl substituted dithiocarbamate complexes.

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