About: On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations     Goto   Sponge   NotDistinct   Permalink

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Description
  • 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. (cs)
  • 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. (en)
Title
  • 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 (cs)
  • On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations (en)
skos:prefLabel
  • 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 (cs)
  • On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations (en)
skos:notation
  • RIV/61388955:_____/04:00101112!RIV/2005/AV0/A54005/N
http://linked.open.../vavai/riv/strany
  • 2784;2796
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(OC D14.20), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika
  • 13
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 577870
http://linked.open...ai/riv/idVysledku
  • RIV/61388955:_____/04:00101112
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • density functional calculations; electronic structure; Raman spectroscopy (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV
  • [BF10B75AAACB]
http://linked.open...i/riv/nazevZdroje
  • European Journal of Inorganic Chemistry
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • -
http://linked.open...iv/tvurceVysledku
  • Záliš, Stanislav
  • Klein, A.
  • Bertagnolli, H.
  • Feth, M. P.
http://linked.open...n/vavai/riv/zamer
issn
  • 1434-1948
number of pages
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