This HTML5 document contains 55 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/
n17http://localhost/temp/predkladatel/
n10http://linked.opendata.cz/resource/domain/vavai/riv/tvurce/
n11http://linked.opendata.cz/resource/domain/vavai/subjekt/
n13http://linked.opendata.cz/resource/domain/vavai/vysledek/RIV%2F00216208%3A11310%2F13%3A10159068%21RIV14-MSM-11310___/
n6http://linked.opendata.cz/ontology/domain/vavai/
n15http://linked.opendata.cz/resource/domain/vavai/zamer/
shttp://schema.org/
skoshttp://www.w3.org/2004/02/skos/core#
rdfshttp://www.w3.org/2000/01/rdf-schema#
n3http://linked.opendata.cz/ontology/domain/vavai/riv/
n14http://bibframe.org/vocab/
n2http://linked.opendata.cz/resource/domain/vavai/vysledek/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
n4http://linked.opendata.cz/ontology/domain/vavai/riv/klicoveSlovo/
n18http://linked.opendata.cz/ontology/domain/vavai/riv/duvernostUdaju/
xsdhhttp://www.w3.org/2001/XMLSchema#
n12http://linked.opendata.cz/ontology/domain/vavai/riv/jazykVysledku/
n5http://linked.opendata.cz/ontology/domain/vavai/riv/aktivita/
n19http://linked.opendata.cz/ontology/domain/vavai/riv/obor/
n8http://linked.opendata.cz/ontology/domain/vavai/riv/druhVysledku/
n9http://reference.data.gov.uk/id/gregorian-year/

Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F13%3A10159068%21RIV14-MSM-11310___
rdf:type
n6:Vysledek skos:Concept
rdfs:seeAlso
http://onlinelibrary.wiley.com/doi/10.1002/chem.201302821/abstract
dcterms:description
Although all the pure-carbon fullerene isomers above C60 reported to date comply with the isolated pentagon rule (IPR), non-IPR structures, which are expected to have different properties from those of IPR species, are obtainable either by exohedral modification or by endohedral atom doping. This report describes the isolation and characterization of a new endohedral metallofullerene (EMF), La2@C76, which has a non-IPR fullerene cage. The X-ray crystallographic result for the La2@C76/[NiII(OEP)] (OEP=octaethylporphyrin) cocrystal unambiguously elucidated the Cs(17 490)-C76 cage structure, which contains two adjacent pentagon pairs. Surprisingly, multiple metal sites were distinguished from the X-ray data, which implies dynamic behavior for the two La3+ cations inside the cage. This dynamic behavior was also corroborated by variable-temperature 139 La NMR spectroscopy. This phenomenon conflicts with the widely accepted idea that the metal cations in non-IPR EMFs invariably coordinate strongly with the negatively charged fused-pentagon carbons, thereby providing new insights into modern coordination chemistry. Furthermore, our electrochemical and computational studies reveal that La2@Cs(17 490)-C76 has a larger HOMO-LUMO gap than other dilanthanum-EMFs with IPR cage structures, such as La2@D3h(5)-C78 and La2@Ih(7)-C80, which implies that IPR is no longer a strict rule for EMFs. Although all the pure-carbon fullerene isomers above C60 reported to date comply with the isolated pentagon rule (IPR), non-IPR structures, which are expected to have different properties from those of IPR species, are obtainable either by exohedral modification or by endohedral atom doping. This report describes the isolation and characterization of a new endohedral metallofullerene (EMF), La2@C76, which has a non-IPR fullerene cage. The X-ray crystallographic result for the La2@C76/[NiII(OEP)] (OEP=octaethylporphyrin) cocrystal unambiguously elucidated the Cs(17 490)-C76 cage structure, which contains two adjacent pentagon pairs. Surprisingly, multiple metal sites were distinguished from the X-ray data, which implies dynamic behavior for the two La3+ cations inside the cage. This dynamic behavior was also corroborated by variable-temperature 139 La NMR spectroscopy. This phenomenon conflicts with the widely accepted idea that the metal cations in non-IPR EMFs invariably coordinate strongly with the negatively charged fused-pentagon carbons, thereby providing new insights into modern coordination chemistry. Furthermore, our electrochemical and computational studies reveal that La2@Cs(17 490)-C76 has a larger HOMO-LUMO gap than other dilanthanum-EMFs with IPR cage structures, such as La2@D3h(5)-C78 and La2@Ih(7)-C80, which implies that IPR is no longer a strict rule for EMFs.
dcterms:title
La2@Cs(17 490)-C76: A New Non-IPR Dimetallic Metallofullerene Featuring Unexpectedly Weak Metal-Pentalene Interactions La2@Cs(17 490)-C76: A New Non-IPR Dimetallic Metallofullerene Featuring Unexpectedly Weak Metal-Pentalene Interactions
skos:prefLabel
La2@Cs(17 490)-C76: A New Non-IPR Dimetallic Metallofullerene Featuring Unexpectedly Weak Metal-Pentalene Interactions La2@Cs(17 490)-C76: A New Non-IPR Dimetallic Metallofullerene Featuring Unexpectedly Weak Metal-Pentalene Interactions
skos:notation
RIV/00216208:11310/13:10159068!RIV14-MSM-11310___
n6:predkladatel
n11:orjk%3A11310
n3:aktivita
n5:I n5:Z
n3:aktivity
I, Z(MSM0021620857)
n3:cisloPeriodika
50
n3:dodaniDat
n9:2014
n3:domaciTvurceVysledku
n10:3305406
n3:druhVysledku
n8:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n13:predkladatel
n3:idSjednocenehoVysledku
84451
n3:idVysledku
RIV/00216208:11310/13:10159068
n3:jazykVysledku
n12:eng
n3:klicovaSlova
X-ray diffraction; metallofullerenes; isolatedpentagon rule; density functional calculations; cocrystallization
n3:klicoveSlovo
n4:cocrystallization n4:metallofullerenes n4:isolatedpentagon%20rule n4:X-ray%20diffraction n4:density%20functional%20calculations
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[EAE4409409AE]
n3:nazevZdroje
Chemistry - A European Journal
n3:obor
n19:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
12
n3:rokUplatneniVysledku
n9:2013
n3:svazekPeriodika
19
n3:tvurceVysledku
Uhlík, Filip Yamada, Michio Mizorogi, Naomi Akasaka, Takeshi Maeda, Yutaka Suzuki, Mitsuaki Lu, Xing Zhao, Xiang Slanina, Zdenek Yang, Tao Hasegawa, Tadashi Nagase, Shigeru
n3:wos
000327801800033
n3:zamer
n15:MSM0021620857
s:issn
0947-6539
s:numberOfPages
6
n14:doi
10.1002/chem.201302821
n17:organizacniJednotka
11310