COMPUTATIONAL AND SPECTROSCOPIC CHARACTERIZATIONS OF SOME N-ALKYL (BENZYL)-DIAZENIUM DIOLATES AND TH

Abstracts

The molecular and electronic structures and spectroscopic characteristics of a series of N-alkyl(benzyl)-N-nitroso hydroxylaminesat deprotonation (diazenium diolates) and complex formation were studied by computational (DFT/ B3LYP) and spectroscopic (UV-VIS) methods. Molecular and electronic structures as well as the bond character in the complexes with the metal ions of various natures are described. The results of the DFT calculations do not contradict the crystal structure determination data and the spectral characteristics of the complexes.

Keywords :Nalkyl(benzyl)diazenium diolates, potassium salts, metal complexes, DFT calculations, spectroscopic characteristics.

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