Title : ( Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L = 2-{(E)-[2-chloroethyl)imino]methylphenolate) )
Authors: Gholamhossein Grivani , Mohamad Vakili , Aliakbar Dehno Khalaji , Giuseppe Bruno , Hadi Amiri Rudbari , Maedeh Taghavi , Vida Tahmasebi ,
دانلود فایل برای اعضای دانشگاهAccess to full-text not allowed by authors
Abstract
The Nickel (II) Schiff base complex of NiL2, (L = 2-{(E)-[2-chloroethyl) imino]methylphenolate) 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-[MN2O2] 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.
Keywords
, Nickel(II); Complex; Single, crystal; Thermal decomposition; Nano particle; DFT
@article{paperid:1042000,
author = {Gholamhossein Grivani and Vakili, Mohamad and Aliakbar Dehno Khalaji and Giuseppe Bruno and Hadi Amiri Rudbari and Maedeh Taghavi and Vida Tahmasebi},
title = {Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L = 2-{(E)-[2-chloroethyl)imino]methylphenolate)},
journal = {Journal of Molecular Structure},
year = {2014},
volume = {1072},
month = {August},
issn = {0022-2860},
pages = {77--83},
numpages = {6},
keywords = {Nickel(II); Complex; Single-crystal; Thermal decomposition; Nano particle; DFT},
}
%0 Journal Article
%T Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L = 2-{(E)-[2-chloroethyl)imino]methylphenolate)
%A Gholamhossein Grivani
%A Vakili, Mohamad
%A Aliakbar Dehno Khalaji
%A Giuseppe Bruno
%A Hadi Amiri Rudbari
%A Maedeh Taghavi
%A Vida Tahmasebi
%J Journal of Molecular Structure
%@ 0022-2860
%D 2014
