volume 6, issue 3, P248-253 2015
DOI: 10.5155/eurjchem.6.3.248-253.1060
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Abstract: Quantum mechanical calculations of geometries, energies and vibrational frequencies of organic mercury and tellurium compounds containing azomethine group, molecules a1-a5 and containing azo group, molecules a6-a10 have been undertaken using density functional theory. The optimized geometrical parameters such as bond lengths, bond angles and dihedral angles showed that only organomercuric compounds have planer structures. The calculation of the total energy and HOMO-LUMO energy gap were showed that organotellu…

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