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

Akbari A, Ahmadi M, Takjoo R, Heinemann FW (2012)

Publication Status: Published

Publication Type: Journal article

Publication year: 2012

Journal

Journal of Coordination Chemistry Taylor & Francis: STM, Behavioural Science and Public Health Titles / Taylor & Francis

Publisher: TAYLOR & FRANCIS LTD

Book Volume: 65

Pages Range: 4115-4124

Journal Issue: 23

DOI: 10.1080/00958972.2012.733379

Abstract

[PtCl2(SMe2)(2)] reacts with (N,N'-bis(salicylidene)-1,2-cyclohexanediamine) to give (N,N'-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.

Authors with CRIS profile

Frank Wilhelm Heinemann Lehrstuhl für Anorganische und Allgemeine Chemie

Involved external institutions

Payame Noor University (PNU) / دانشگاه پیام نور IR Iran, Islamic Republic of (IR) Ferdowsi University of Mashhad IR Iran, Islamic Republic of (IR)

How to cite

APA:

Akbari, A., Ahmadi, M., Takjoo, R., & Heinemann, F.W. (2012). Synthesis, spectroscopy, X-ray crystal structure, and DFT studies on a platinum(II) Schiff-base complex. Journal of Coordination Chemistry, 65(23), 4115-4124. https://doi.org/10.1080/00958972.2012.733379

MLA:

Akbari, Alireza, et al. "Synthesis, spectroscopy, X-ray crystal structure, and DFT studies on a platinum(II) Schiff-base complex." Journal of Coordination Chemistry 65.23 (2012): 4115-4124.

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