Molecular and spectroscopic properties of hydridecarbonyl ruthenium complexes with pyrazine carboxylic acid ligands |
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| Authors: | JG Ma?ecki T GrońH Duda |
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| Institution: | a Department of Crystallography, Institute of Chemistry, University of Silesia, ul. Szkolna 9, 40-006 Katowice, Poland
b Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice, Poland |
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| Abstract: | The hydride carbonyl ruthenium(II) RuH(CO)(pyzCOO)(PPh3)2] (1), RuH(CO)(pyz-2,3-COOCH3])(PPh3)2]·H2O (2) and dinuclear Ru(II)/Ru(III) RuH(CO)(PPh3)(pyz-2,3-COO)Ru(CO)Cl2(PPh3)2] (3) complexes were synthesized and characterized by IR, 1H, 31P NMR, UV-Vis spectroscopy and X-ray crystallography. The experimental studies were complemented by quantum chemical calculations, which were used to identify the nature of the interactions between the ligands and the central ion, and the orbital composition in the frontier electronic structure. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV-Vis spectra obtained at an experimental level. The luminescence property of the complex 2 was determined. The ac magnetic susceptibility measurements showed a residual magnetism evidenced by the small values of the molar susceptibility, not exceeding 0.5 emu/mol at 2 K, a lack of a Curie-Weiss region and weak magnetic interactions below 20 K. |
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| Keywords: | Ruthenium hydridocarbonyl complexes Pyrazine carboxylic acid Ruthenium(III)/ruthenium(II) dinuclear complexes Absorptions and emissions electronic spectra DFT Dynamic magnetic susceptibility |
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