Combined experimental (FT-IR, UV–visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces, reactivity descriptor and molecular docking of Phomarin

2015 ◽  
Vol 1096 ◽  
pp. 94-101 ◽  
Author(s):  
Abhishek Kumar ◽  
Ambrish Kumar Srivastava ◽  
Shashi Gangwar ◽  
Neeraj Misra ◽  
Avijit Mondal ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Docking ◽  
Vibrational Spectra ◽  
Theoretical Studies ◽  
Visible Spectra ◽  
Reactivity Descriptor ◽  
Ft Ir ◽  
Uv Visible ◽  
Homo Lumo

scholarly journals Synthesis and Characterization of Some New Metals Complexes of [N-(4-Nitrobenzoyl Amino)-Thioxomethyl] Phenylalanine

2016 ◽  
Vol 13 (1) ◽  
pp. 113-121
Author(s):  
Baghdad Science Journal
Keyword(s):  
Molecular Structure ◽  
Magnetic Susceptibility ◽  
Palladium Complexes ◽  
Synthesis And Characterization ◽  
Conductivity Measurements ◽  
Tetrahedral Geometry ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

A new ligand [N-(4-nitrobenzoylamino)-thioxomethyl] phenylalanine is synthesized by reaction of 4-nitrobenzoyl isothiocyanate with phenylalanine (1:1). It is characterized by micro elemental analysis (C.H.N.S.), FT-IR, (UV-Vis) and 1H and 13CNMR spectra. Some metals ions complexes of this ligand were prepared and characterized by FT-IR, UV-Visible spectra, conductivity measurements, magnetic susceptibility and atomic absorption. From results obtained, the following formula [M(NBA)2] where M2+ = Mn, Co, Ni, Cu, Zn, Pd, Cd and Hg, the proposed molecular structure for these complexes as tetrahedral geometry, except copper and palladium complexes are have square planer geometry.

Sign in / Sign up

Export Citation Format

Share Document