ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

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 (C_2h 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)