Linked Life Data

17274090

Source:http://linkedlifedata.com/resource/pubmed/id/17274090

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
4
pubmed:dateCreated
2007-3-19
pubmed:abstractText
The synthesis and characterisation of the new endohedral cluster fullerene Sc(3)CH@C(80) is reported. The encapsulation of the first hydrocarbon cluster inside a fullerene was achieved by the arc burning method in a reactive CH(4) atmosphere. The extensive characterisation by mass spectrometry (MS), high- pressure liquid chromatography (HPLC), (45)Sc NMR, electron spin resonance (ESR), UV/Vis-NIR and Raman spectroscopy provided the experimental evidence for the caging of the five-atom Sc(3)CH cluster inside the C(80) cage isomer with icosahedral symmetry. The proposed new structure was confirmed by DFT calculations, which gave a closed shell and large energy gap structure. Thus a pyramidal Sc(3)CH cluster and the I(h)-C(80) cage were shown to be the most stable configuration for Sc(3)CH@C(80) whereas alternative structures give a smaller bonding energy as well as a smaller energy gap.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Mar
pubmed:issn
1439-4235
pubmed:author
pubmed:issnType
Print
pubmed:day
12
pubmed:volume
8
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
537-40
pubmed:year
2007
pubmed:articleTitle
Entrapped bonded hydrogen in a fullerene: the five-atom cluster Sc3CH in C80.
pubmed:affiliation
Group of Electrochemistry and Conducting Polymers, Leibniz-Institute for Solid State and Materials Research Dresden, P.O. Box 270116, 01171 Dresden, Germany.
pubmed:publicationType
Journal Article