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Mihai Viteazu, Romania

Rosu D.,Polytechnic University of Timisoara | Birzescu M.,Polytechnic University of Timisoara | Milea M.-S.,Polytechnic University of Timisoara | Pascariu M.-C.,Vasile Goldis Western University of Arad | And 2 more authors.
Revue Roumaine de Chimie | Year: 2014

The preparation of iron(III) polyoxalate from an aqueous ethylene glycol-iron(III) nitrate system was presented from the synthesis-structure relationship viewpoint. Under specific working conditions, the reaction between ethylene glycol and Fe(NO3)3·9H2O proceeds with the oxidation of the former to oxalate anion. The synthesized homopolynuclear coordination compound, which contains the oxalate anion as ligand, was characterized by physical-chemical analysis, electronic spectroscopy and Fourier transform infrared spectroscopy.


Birzescu M.,Polytechnic University of Timisoara | Milea M.,Polytechnic University of Timisoara | Rosu D.,Polytechnic University of Timisoara | Ledeti I.,Victor Babes University of Medicine and Pharmacy Timisoara | And 3 more authors.
Revue Roumaine de Chimie | Year: 2014

This paper presents the experimental results of the synthesis and thermal analysis of the nickel(II) oxalate, a homopolynuclear coordination compound obtained through the RedOx reaction which took place between ethylene glycol and Ni(NO3)2• 6H2O. The reaction between ethylene glycol and Ni(NO3) 2• 6H2O occurs with the oxidation of ethylene glycol to the oxalate anion, C2O4 2- (L) under the chosen experimental conditions. The synthesized homopolynuclear coordination compound, having as ligand the oxalate anion, was characterized by chemical analysis, magnetic measurements, electronic and vibrational spectra and thermal analysis. The thermal behaviour of the polynuclear coordination compound has been investigated by TG, DTG and DTA. Nickel oxide obtained by thermal decomposition of this compound was characterized by IR spectroscopy and X-ray diffraction (XRD).


Schulz M.,Timisoara of Roumanian Academy | Mracec M.,Timisoara of Roumanian Academy | Sisu E.,Timisoara of Roumanian Academy | Mracec M.,Timisoara of Roumanian Academy | Mracec M.,Aurel Vlaicu University
Revue Roumaine de Chimie | Year: 2010

A conformational analysis with the semiempirical PM3 method was performed for the (3S,5R,6R)-6-acetylamidopenicillanic acid. 47 distinct conformers were found within 11.36 kcal/mol. Dependence of some electronic properties of these conformers (HOMO and LUMO energies, dipole moment, v min frequence of the minimum vibration, v MAX frequence of the maximum vibration, zero point vibration energy (ZPVE) and charge densities on atoms S1, N4, N14, O8, O12, O13 and O17) with respect to some geometrical characteristics (pseudochirality of the N14 atom, the syn-anti arrangement of the O17 and H28 atoms of the amidic group and the three puckering classes of the thyazolidinic ring (noted with a, b, c)) is discussed.

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