COMPUTATIONAL AND SPECTROSCOPIC CHARACTERIZATIONS OF SOME N-ALKYL (BENZYL)-DIAZENIUM DIOLATES AND THEIR METAL COMPLEXES
OLGA KOVALCHUKOVA *
Department of General Chemistry, People’s Friendship University of Russia, Russia
ALI SHEIKH BOSTANABAD
Department of Chemistry, Amirkabir University of Technology, Iran
MICHAEL RYABOV
Department of General Chemistry, People’s Friendship University of Russia, Russia
NASRIN NAMICHEMAZI
Department of General Chemistry, People’s Friendship University of Russia, Russia
IGOR ZYUZIN
Institute of Problems of Chemical Physics, Russian Academy of Sciences, Russia
TEIMURAZ BERIKASHVILI
Department of Physics, Georgian Technical University, Georgia
*Author to whom correspondence should be addressed.
Abstract
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