Skip navigation

Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12128/9470
Title: Synthesis, characterization, and molecular structure of Ru(II) complex containing 2,5-pyridinedicarboxylic acid
Authors: Małecki, Jan Grzegorz
Keywords: Ruthenium(II) complex; 2,5-Pyridinedicarboxylic acid; X-ray structure; Electronic structure; DFT calculations; Fluorescence
Issue Date: 2012
Citation: Structural Chemistry, Vol. 23 (2012), s. 71-77
Abstract: This article presents a combined experimental and computational study of Ru(II) complex containing 2,5- pyridinedicarboxylic acid ligand. The novel complex [Ru(py-2,5-COOH)2(PPh3)2] 3H2O has been obtained in the reaction of [RuCl2(PPh3)3] with 2,5-pyridinedicarboxylic acid in methanol and has been studied by IR, 1H, 31P NMR, UV–Vis spectroscopy, and X-ray crystallography. The electronic structure of [Ru(py-2,5-COOH)2(PPh3)2] has been calculated with the density functional theory (DFT) method. The spin-allowed electronic transitions of the complex have been calculated with the time-dependent DFT method, and the UV–Vis spectrum has been discussed on this basis and rationalized by determination of ligand field splitting (10Dq) and Racah’s parameters from the experimental spectrum. The luminescence property of the complex has been examined.
URI: http://hdl.handle.net/20.500.12128/9470
DOI: 10.1007/s11224-011-9842-8
ISSN: 1040-0400
1572-9001
Appears in Collections:Artykuły (WNŚiT)

Files in This Item:
File Description SizeFormat 
Malecki_Synthesis_characterization_and_molecular_structure.pdf616,54 kBAdobe PDFView/Open
Show full item record


Uznanie autorstwa - użycie niekomercyjne 3.0 Polska Creative Commons License Creative Commons