Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes

0434926 - FZÚ 2015 RIV GB eng J - Článek v odborném periodiku
Shaabani, B. - Khandar, A.A. - Dušek, Michal - Pojarová, Michaela - Maestro, M.A. - Mukherjee, R. - Mahmoudi, F.
Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes.
Journal of Coordination Chemistry. Roč. 67, č. 12 (2014), s. 2096-2109. ISSN 0095-8972. E-ISSN 1029-0389
Grant ostatní: AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institucionální podpora: RVO:68378271
Klíčová slova: uranium complex * isothiosemicarbazone * crystallography * spectra * thermal stability
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 2.012, rok: 2014

Two new complexes, [Ni(HL1)(N3)(μ1,1N3)]2 (1) [HL1: NC5H4CH3C=NNH (C=O) NH2] and [Ni(L2)N3] (2) [HL2: NC5H4HC=N NH(C=S)NH2], have been synthesized by reaction of Ni(OAC)2.4H2O and sodium azide with HL1 and HL2 and characterized by elemental analysis, FT-IR, and UV-vis spectral studies. Single-crystal X-ray diffraction reveals that 1 is dinuclear with nickel(II) in an octahedral environment of NNO donors of HL1, two nitrogens of azide bridges and one nitrogen of terminal azide; 2 is mononuclear containing nickel(II) in a distorted square-planar environment of NNS donors of HL2 and one terminal az ide. The structures of 1 and 2 have been optimized by density functional theory.
Trvalý link: http://hdl.handle.net/11104/0238884