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Structure and vibrational spectra of copper(II) 2-pyridylmethanolate tetrahydrate

Anton Gatial, Marcela Múdra, Ján Moncoľ, Marta Danková, Peter Lönnecke, and Martin Breza

Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-81237, Bratislava, Slovakia

 

E-mail: marcelina.md@gmail.com

Abstract: In the memory of Prof. Ing. Ladislav Valko, DrSc. (1930–2013) A room-temperature synthesis of copper(II) 2-pyridylmethanolate tetrahydrate, [CuL2] · 4H2O, with nearly quantitative yields with its structure redetermined at 213 K is presented. In agreement with the X-ray structure data, the DFT quantum-chemical calculations confirmed the planar structure of CuL2 (C2h symmetry). The measured IR and Raman spectra were interpreted using the DFT calculations and some erroneous assignments in the previous studies have been corrected.

Keywords: vibrational spectra – B3LYP calculations – structure – Cu(II) pyridylcarbinolate

Full paper is available at www.springerlink.com.

DOI: 10.2478/s11696-014-0539-5

 

Chemical Papers 68 (7) 940–949 (2014)

Monday, September 26, 2022

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