On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F04%3A00101112" target="_blank" >RIV/61388955:_____/04:00101112 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations
Original language 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'LCTor MLCT/XLCT due to low-lying accepting .pí.*-orbitals centered on the diimine ligands and mixed metal/co-ligand MOs as donor levels.
Czech name
Elektronová struktura mesitylenových komplexů niklu s alfa-diiminy získaná kombinací strukturních dat, spektroskopií a výpočtů
Czech 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] aEXAFS 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.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/OC%20D14.20" target="_blank" >OC D14.20: Oganometallic and Metallo-organic Building Blocks for Photonic Materials</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2004
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
European Journal of Inorganic Chemistry
ISSN
1434-1948
e-ISSN
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Volume of the periodical
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Issue of the periodical within the volume
13
Country of publishing house
DE - GERMANY
Number of pages
13
Pages from-to
2784-2796
UT code for WoS article
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EID of the result in the Scopus database
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