Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L=2-{(E)-[2chloroethyl)imino]methylphenolate)

被引：18

作者：

Grivani, Gholamhossein ^{[1
]}

Vakili, Mohammad ^{[2
]}

Khalaji, Aliakbar Dehno ^{[3
]}

Bruno, Giuseppe ^{[4
]}

Rudbari, Hadi Amiri ^{[5
]}

Taghavi, Maedeh ^{[1
]}

Tahmasebi, Vida ^{[1
]}

机构：

[1] Damghan Univ, Sch Chem, Damghan, Iran

[2] Ferdowsi Univ Mashhad, Dept Chem, Mashhad 917751436, Iran

[3] Golestan Univ, Fac Sci, Dept Chem, Gorgan, Iran

[4] Univ Messina, Dipartimento Chim Inorgan, I-98166 Messina, Italy

[5] Univ Isfahan, Dept Chem, Esfahan 8174673441, Iran

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2014年 / 1072卷

关键词：

Nickel(11); Complex Single-crystal; Thermal decomposition; Nano particle; DFT; CATALYTIC-ACTIVITY; NICKEL(II) COMPLEXES; LIGAND; EPOXIDATION; COPPER(II); CONTINUUM; CU(II); CO(II); CAVITY;

D O I：

10.1016/j.molstruc.2014.04.059

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Nickel (II) Schiff base complex of NiL2, (L = 2-[(E)-[2-chloroethyl) iminoimethylphenolate) have been synthesized and characterized by elemental (CHN) analysis, UV vis and FT-IR spectroscopy. The molecular structure of [NiL2] was determined by single crystal X-ray diffraction technique. The Schiff base ligand HL acts as a chelating ligand and coordinates via one nitrogen atom and one oxygen atom to the metal center. The nickel (II) center is coordinated by two nitrogen and two oxygen atoms from two Schiff base ligands in an approximately square planar trans-1MN202] coordination geometry. Thermogravimetric analysis of NiL2 showed that it decomposed in three stages. In addition, complex NiL2 thermally decomposed in air at 660 C and the XRD pattern of the obtained solid showed the formation of NiO nanoparticles with an average size of 43 nm. In addition, the conformational analysis and molecular structures of NiL2 were investigated by means of density functional theory (DFT) calculations at B3LYP/6-311G* level and the calculated geometrical parameters were compared with the experimental results. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：77 / 83

页数：7

共 29 条

[1] Synthesis and crystal structures of the flexible Schiff base complex bis(N-1,2-diphenylethyl-salicydenaminato-κ2N,O)copper(II) (methanol):: A rare case of solvent-induced distortion [J].