Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54020117" target="_blank" >RIV/61388955:_____/01:54020117 - 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
Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2.
Original language description
triazacyclononane, has been crystallized for structural characterization. The results are reproduced by density functional theory (DFT) calculations and confirm the sensitivity of the central Ru(mu-Cl)(3)Ru core to contacts between the Cl bridging atomsand the co-ligands. The singly occupied MO is characterized as a (sigma* MO involving the metal d(z)(2) orbitals and a small halide contribution by DFT calculations and EPR.
Czech name
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Czech description
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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
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Israel Journal of Chemistry
ISSN
0021-2148
e-ISSN
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Volume of the periodical
41
Issue of the periodical within the volume
N/A
Country of publishing house
IL - THE STATE OF ISRAEL
Number of pages
4
Pages from-to
145-148
UT code for WoS article
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EID of the result in the Scopus database
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