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

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About: Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes (en)
skos:prefLabel	Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes (en)
skos:notation	RIV/68378271:_____/14:00434926!RIV15-AV0-68378271
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	12
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Pojarová, Michaela Dušek, Michal
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	49016
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/14:00434926
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	uranium complex; isothiosemicarbazone; crystallography; spectra; thermal stability (en)
http://linked.open.../riv/klicoveSlovo	thermal stability isothiosemicarbazone uranium complex crystallography spectra
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[32725C0D21B7]
http://linked.open...i/riv/nazevZdroje	Journal of Coordination Chemistry
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	67
http://linked.open...iv/tvurceVysledku	Dušek, Michal Pojarová, Michaela Khandar, A. A. Mahmoudi, F. Shaabani, B. Maestro, M. A. Mukherjee, R.
http://linked.open...ain/vavai/riv/wos	000340154000006
issn	0095-8972
number of pages	14 (xsd:int)
http://bibframe.org/vocab/doi	10.1080/00958972.2014.936859

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