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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F04%3A00101112%21RIV%2F2005%2FAV0%2FA54005%2FN
rdf:type
n15:Vysledek skos:Concept
dcterms:description
New organometallic nickel complexes of the type [( alpha -diimine)Ni(Mes)Br] and [ alpha -diimine)Ni(Mes)2] (Mes = mesityl = 2,4,6-trimethylphenyl) were prepared and characterized spectroscopically in detail. A combination of spectroscopic techniques (XRD, EXAFS, absorption, resonance Raman) and quantum chemical (DFT) calculations reveal the interplay of the diimine ligands and the co-ligands mesityl or bromine with the nickel centre. The low-lying electronic transitions are assigned to mixed MLCT/L'LCT or MLCT/XLCT due to low-lying accepting .pí.*-orbitals centered on the diimine ligands and mixed metal/co-ligand MOs as donor levels. New organometallic nickel complexes of the type [( alpha -diimine)Ni(Mes)Br] and [ alpha -diimine)Ni(Mes)2] (Mes = mesityl = 2,4,6-trimethylphenyl) were prepared and characterized spectroscopically in detail. A combination of spectroscopic techniques (XRD, EXAFS, absorption, resonance Raman) and quantum chemical (DFT) calculations reveal the interplay of the diimine ligands and the co-ligands mesityl or bromine with the nickel centre. The low-lying electronic transitions are assigned to mixed MLCT/L'LCT or MLCT/XLCT due to low-lying accepting .pí.*-orbitals centered on the diimine ligands and mixed metal/co-ligand MOs as donor levels. Mono- a dinukleární organometalické komplexy niklu typu [(alpha-diimine)Ni(Mes)Brn] (n = 1 or 2) and [(alpha-diimine)Ni(Mes)2] (Mes = mesityl = 2,4,6-trimethylphenyl) byly připraveny a detailně charakterizovány. Krystalová struktura [(tmphen)Ni(Mes)2] a EXAFS studie vybraných vzorků popisují strukturní charakteristiky těchto komplexů. Elektronová struktura těchto komplexů byla zkoumána kombinací spektroskopických technik (absorpční, resonanční Ramanovou spektroskopie) a kvantově chemickými (DFT) výpočty.
dcterms:title
On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations Elektronová struktura mesitylenových komplexů niklu s alfa-diiminy získaná kombinací strukturních dat, spektroskopií a výpočtů
skos:prefLabel
Elektronová struktura mesitylenových komplexů niklu s alfa-diiminy získaná kombinací strukturních dat, spektroskopií a výpočtů On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations
skos:notation
RIV/61388955:_____/04:00101112!RIV/2005/AV0/A54005/N
n3:strany
2784;2796
n3:aktivita
n6:Z n6:P
n3:aktivity
P(OC D14.20), Z(AV0Z4040901)
n3:cisloPeriodika
13
n3:dodaniDat
n5:2005
n3:domaciTvurceVysledku
n18:3953084
n3:druhVysledku
n11:J
n3:duvernostUdaju
n9:S
n3:entitaPredkladatele
n13:predkladatel
n3:idSjednocenehoVysledku
577870
n3:idVysledku
RIV/61388955:_____/04:00101112
n3:jazykVysledku
n16:eng
n3:klicovaSlova
density functional calculations; electronic structure; Raman spectroscopy
n3:klicoveSlovo
n4:density%20functional%20calculations n4:electronic%20structure n4:Raman%20spectroscopy
n3:kodStatuVydavatele
DE - Spolková republika Německo
n3:kontrolniKodProRIV
[BF10B75AAACB]
n3:nazevZdroje
European Journal of Inorganic Chemistry
n3:obor
n7:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:projekt
n17:OC%20D14.20
n3:rokUplatneniVysledku
n5:2004
n3:svazekPeriodika
-
n3:tvurceVysledku
Feth, M. P. Bertagnolli, H. Klein, A. Záliš, Stanislav
n3:zamer
n12:AV0Z4040901
s:issn
1434-1948
s:numberOfPages
13