Journal of Coordination chemistry, ( ISI ), Volume (65), No (23), Year (2012-10) , Pages (4115-4124)

Title : ( Synthesis, spectroscopy, X-ray crystal structure, and DFT studies on a platinum(II) Schiff-base complex )

Authors: Alireza Akbari , Mehdi Ahmadi , Reza Takjoo , Frank W. Heinemann ,

Citation: BibTeX | EndNote

[PtCl2(SMe2)2] reacts with (N,N0-bis(salicylidene)-1,2-cyclohexanediamine) to give (N,N0-bis(salicylidene)cyclohexane-1,2-diamine)platinum(II). The complex has been characterized by elemental analysis, infrared (IR), UV-Vis, and single-crystal X-ray diffraction. Pt(II) is in a square-planar environment, coordinated by a chelating N2O2 donor. Density functional theory (DFT) calculations such as geometry optimization, vibrational frequency, electronic properties, and natural bond orbital (NBO) have been performed for the platinum compound using the OLYP method at TZP(6-311G*) basis set. The optimization calculation shows that the geometry parameters can be reproduced with the OLYP/TZP basis set. Experimental IR frequencies and calculated vibrational frequencies support each other. Time-dependent DFT has been used for absorption wavelengths and results were compared with experimental data. Moreover, NBO analysis has been performed.

Keywords

, Platinum(II) complex; Crystal structure; Square, planar;
برای دانلود از شناسه و رمز عبور پرتال پویا استفاده کنید.

@article{paperid:1031040,
author = {Alireza Akbari and Mehdi Ahmadi and Takjoo, Reza and Frank W. Heinemann},
title = {Synthesis, spectroscopy, X-ray crystal structure, and DFT studies on a platinum(II) Schiff-base complex},
journal = {Journal of Coordination chemistry},
year = {2012},
volume = {65},
number = {23},
month = {October},
issn = {0095-8972},
pages = {4115--4124},
numpages = {9},
keywords = {Platinum(II) complex; Crystal structure; Square-planar; DFT},
}

[Download]

%0 Journal Article
%T Synthesis, spectroscopy, X-ray crystal structure, and DFT studies on a platinum(II) Schiff-base complex
%A Alireza Akbari
%A Mehdi Ahmadi
%A Takjoo, Reza
%A Frank W. Heinemann
%J Journal of Coordination chemistry
%@ 0095-8972
%D 2012

[Download]