About: Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin?

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Pomocí TD-DFT a MRCI method byl studován vliv geometrických změn na spinovou multiplicitu základních stavů oktaedrálních komplexů ruthenia(II/III) a osmia(II/III). Na příkladu [RuCl6](4-) komplexu bylo ukázáno, že teprve po optimalizaci molekulové geometrie v roztoku, což vede ke zkrácení M-L vazebných délek o 0.2 Å, je dosaženo správného pořadí spinových stavů. (cs) The influence of geometrical changes on the spin multiplicity of the ground states of the octahedral ruthenium(II/III) and osmium(II/III) complexes is investigated using the TD-DFT and MRCI methods. On the example of the [RuCl6](4-) complex, we show that only after the optimisation of the molecular geometry in a solvent, which shortens the M-L bond lengths by 0.2 Å, is the correct order of spin states obtained. The influence of geometrical changes on the spin multiplicity of the ground states of the octahedral ruthenium(II/III) and osmium(II/III) complexes is investigated using the TD-DFT and MRCI methods. On the example of the [RuCl6](4-) complex, we show that only after the optimisation of the molecular geometry in a solvent, which shortens the M-L bond lengths by 0.2 Å, is the correct order of spin states obtained. (en)
Title	Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? Jsou oktadedrální komplexy ruthenia (II,III) a osmia (II,III) vždy nízkospinové? (cs) Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? (en)
skos:prefLabel	Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? Jsou oktadedrální komplexy ruthenia (II,III) a osmia (II,III) vždy nízkospinové? (cs) Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? (en)
skos:notation	RIV/61388963:_____/08:00313355!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Chalupský, Jakub Rulíšek, Lubomír Srnec, Martin
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 organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	356994
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/08:00313355
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ruthenium complexes; osmium; spin state; electronic spectra (en)
http://linked.open.../riv/klicoveSlovo	osmium electronic spectra ruthenium complexes spin state
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[AFD418C8DAF9]
http://linked.open...i/riv/nazevZdroje	Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	73
http://linked.open...iv/tvurceVysledku	Rulíšek, Lubomír Srnec, Martin Chalupský, Jakub
http://linked.open...ain/vavai/riv/wos	000263121400001
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0010-0765
number of pages	14 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin? Are octahedral ruthenium (II/III) and osmium (II/III) complexes always low-spin?

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 48 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software