This HTML5 document contains 47 embedded RDF statements represented using HTML+Microdata notation.

The embedded RDF content will be recognized by any processor of HTML5 Microdata.

Namespace Prefixes

PrefixIRI
dctermshttp://purl.org/dc/terms/
n4http://linked.opendata.cz/resource/domain/vavai/vysledek/RIV%2F61388955%3A_____%2F03%3A54030171%21RIV%2F2004%2FAV0%2FA54004%2FN/
n9http://linked.opendata.cz/resource/domain/vavai/riv/tvurce/
n8http://linked.opendata.cz/resource/domain/vavai/projekt/
n13http://linked.opendata.cz/ontology/domain/vavai/
n18http://linked.opendata.cz/resource/domain/vavai/zamer/
shttp://schema.org/
skoshttp://www.w3.org/2004/02/skos/core#
n3http://linked.opendata.cz/ontology/domain/vavai/riv/
n2http://linked.opendata.cz/resource/domain/vavai/vysledek/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
n7http://linked.opendata.cz/ontology/domain/vavai/riv/klicoveSlovo/
n10http://linked.opendata.cz/ontology/domain/vavai/riv/duvernostUdaju/
xsdhhttp://www.w3.org/2001/XMLSchema#
n15http://linked.opendata.cz/ontology/domain/vavai/riv/jazykVysledku/
n5http://linked.opendata.cz/ontology/domain/vavai/riv/aktivita/
n17http://linked.opendata.cz/ontology/domain/vavai/riv/druhVysledku/
n11http://linked.opendata.cz/ontology/domain/vavai/riv/obor/
n16http://reference.data.gov.uk/id/gregorian-year/

Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F03%3A54030171%21RIV%2F2004%2FAV0%2FA54004%2FN
rdf:type
skos:Concept n13:Vysledek
dcterms:description
Replacement of 2,2''-bipyridine (bpy) by substituted 1,4-diazabutadiene (R-DAB) alpha;-diimine ligands N^N leads to a substantial hypsochromic shift of about 0.8 eV for the long-wavelength absorption band in compounds (N^N)Ir(C5Me5) but to a bathochromic absorption shift of about 0.4 eV for the complex ions [(N^N)IrCl(C5Me5)]+. DFT calculations on model complexes based on experimental (R-DAB compounds) and geometry-optimized structures (bpy systems) reveal that the low-energy transitions of the cationic chloro complexes are largely of ligandůto-ligand charge transfer character L''LCT (L = alpha-diimine, L'' = Cl) whereas the neutral compounds exhibit pí_pí* transitions between the considerably mixed metal d pí and alpha-diimine pí* orbitals. The much more pronounced metal-ligand orbital interaction for the R-DAB complexes causes the qualitatively different shifts on replacing the stronger basic bpy by the better pí-acceptors R-DAB. Replacement of 2,2''-bipyridine (bpy) by substituted 1,4-diazabutadiene (R-DAB) alpha;-diimine ligands N^N leads to a substantial hypsochromic shift of about 0.8 eV for the long-wavelength absorption band in compounds (N^N)Ir(C5Me5) but to a bathochromic absorption shift of about 0.4 eV for the complex ions [(N^N)IrCl(C5Me5)]+. DFT calculations on model complexes based on experimental (R-DAB compounds) and geometry-optimized structures (bpy systems) reveal that the low-energy transitions of the cationic chloro complexes are largely of ligandůto-ligand charge transfer character L''LCT (L = alpha-diimine, L'' = Cl) whereas the neutral compounds exhibit pí_pí* transitions between the considerably mixed metal d pí and alpha-diimine pí* orbitals. The much more pronounced metal-ligand orbital interaction for the R-DAB complexes causes the qualitatively different shifts on replacing the stronger basic bpy by the better pí-acceptors R-DAB.
dcterms:title
Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)? Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)?
skos:prefLabel
Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)? Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)?
skos:notation
RIV/61388955:_____/03:54030171!RIV/2004/AV0/A54004/N
n3:strany
5185;5191
n3:aktivita
n5:P n5:Z
n3:aktivity
P(OC D14.20), P(OC D15.10), Z(AV0Z4040901)
n3:cisloPeriodika
N/A
n3:dodaniDat
n16:2004
n3:domaciTvurceVysledku
n9:3953084
n3:druhVysledku
n17:J
n3:duvernostUdaju
n10:S
n3:entitaPredkladatele
n4:predkladatel
n3:idSjednocenehoVysledku
625299
n3:idVysledku
RIV/61388955:_____/03:54030171
n3:jazykVysledku
n15:eng
n3:klicovaSlova
bipyridine; 1,4-diazabutadiene; transition metal complexes
n3:klicoveSlovo
n7:1 n7:transition%20metal%20complexes n7:bipyridine n7:4-diazabutadiene
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[397AB8853282]
n3:nazevZdroje
Inorganic Chemistry
n3:obor
n11:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
5
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n8:OC%20D14.20 n8:OC%20D15.10
n3:rokUplatneniVysledku
n16:2003
n3:svazekPeriodika
42
n3:tvurceVysledku
Záliš, Stanislav Greulich, S. Sieger, M. Stoll, H. Kaim, W.
n3:zamer
n18:AV0Z4040901
s:issn
0020-1669
s:numberOfPages
7