Vibrational spectroscopic (FT-IR, FT-Raman), anti-inflammatory, docking and molecular characteristic studies of Ni(II) complex of 2-aminonicotinaldehyde using theoretical and experimental methods

K. Ramaiah,J. Prashanth, J. Haribabu,Katta Eswar Srikanth,B. Venkatram Reddy,R. Karvembu,K. Laxma Reddy

Journal of Molecular Structure（2019）

引用 13|浏览15

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摘要

Fourier transform infrared (FT-IR) and Raman (FT-Raman) spectra of the nickel(II) complex of 2-aminonicotinaldehyde (Ni(II)CANA) have been recorded and analyzed. The experimental work has been complemented by density functional theory (DFT) computations.

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关键词

(Ni(II)CANA),DFT calculations,Homo-Lumo,In vivo anti-inflammatory activity,Molecular docking

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