Spectroscopic, DFT and antimicrobial activity of Zn(II), Zr(IV), Ce(IV) and U(VI) complexes of N,N- chelated 4,6-bis (4-chlorophenyl)-2-amino-1,2-dihydropyridine-3-carbinitrile

被引：13

作者：

Sadeek, S. A. ^{[1
]}

Abd El-Hamid, S. M. ^{[1
]}

Zordok, W. A. ^{[1
,2
]}

机构：

[1] Zagazig Univ, Fac Sci, Dept Chem, Zagazig, Egypt

[2] Umm Al Qura Univ, Univ Coll Quanfudha, Dept Chem, Mecca, Saudi Arabia

来源：

APPLIED ORGANOMETALLIC CHEMISTRY | 2018年 / 32卷 / 09期

关键词：

H-1; NMR; biological activity; DFT; IR; metal complexes; BINUCLEAR METAL-COMPLEXES; N-HETEROCYCLIC CARBENE; RAY CRYSTAL-STRUCTURES; THERMAL ANALYSES; ANTIBACTERIAL ACTIVITIES; RUTHENIUM(II) COMPLEXES; TRANSFER HYDROGENATION; SOLVATES L; LIGAND; COPPER(II);

D O I：

10.1002/aoc.4457

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Four novel metal complexes of 4,6-bis (4-chlorophenyl)-2-amino-1,2-dihydropyridine-3-carbinitrile (H2L) with Zn(II), Zr(IV), Ce(IV) and U(VI) were synthesized. The structure was elucidated using elemental analysis, melting point, molar conductivity; spectroscopic techniques (IR, H-1 NMR, UV-Vis., mass spectra) as well as thermo gravimetric analysis. The spectroscopic data proved that H2L chelated with the metal ions as a bidentate ligand through N-amino and N-carbinitrile atoms. The molecular structure of the complexes was determined using density functional theory (DFT). The central metal ion in each complex is six-coordinate and the angles around it vary from 62.74 degrees to 166.46 degrees; these values agree with distorted octahedral geometry. The calculated total energy of the complexes found in the region - 406.342 to -459.717 au and the dipole moment change from 4.675 to 13.171D. The antibacterial and antifungal activities of the ligand, metal salts and complexes were estimated on some microorganisms. The complexes showed significant antibacterial profile in comparison to the free ligand.

引用

页数：16