About: Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2.

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About: Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 atoms and 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. 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 atoms and 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. (en)
Title	Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2. Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2. (en)
skos:prefLabel	Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2. Experimental and DFT Calculated Sructure of the Diruthenium(2.5) Complex [(Me3 TACN)Ru(.mu.-Cl)3Ru(Me3 TACN)](PF6)2. (en)
skos:notation	RIV/61388955:_____/01:54020117!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	145;148
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(OC D14.20), P(OC D15.10), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Záliš, Stanislav
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	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	679920
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/01:54020117
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ruthenium complex; - electron paramagnetic resonance; - electronic structure (en)
http://linked.open.../riv/klicoveSlovo	- electron paramagnetic resonance - electronic structure ruthenium complex
http://linked.open...odStatuVydavatele	IL - Stát Izrael
http://linked.open...ontrolniKodProRIV	[564117F3A711]
http://linked.open...i/riv/nazevZdroje	Israel Journal of Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20D14.20 http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20D15.10
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	41
http://linked.open...iv/tvurceVysledku	Kaim, W. Záliš, Stanislav Klein, A. Knödler, A. Titze, C.
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	0021-2148
number of pages	4 (xsd:int)

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