Linked Life Data

16819883

Source:http://linkedlifedata.com/resource/pubmed/id/16819883

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
27
pubmed:dateCreated
2006-7-5
pubmed:abstractText
Herein, we report the preparation, purification, and characterization of a mixed trimetallic nitride endohedral metallofullerene, CeSc(2)N@C(80). Single-crystal X-ray diffraction shows that CeSc(2)N@C(80) consists of a four-atom asymmetric top (CeSc(2)N) inside a C(80) (I(h)()) carbon cage. Unlike the situation in most endohedrals of the M(3)N@C(2)(n)() type, the nitride ion is not located at the center of the carbon cage but is offset by 0.36 A in order to accommodate the large Ce(III) ion. The cage carbon atoms near the endohedral Ce and Sc atoms exhibit significantly larger pyramidal angles than the other carbon atoms on the C(80) cage. Surprisingly, at ambient temperature, the (13)C NMR spectrum exhibits isotropic motional averaging yielding only two signals (3 to 1 intensity ratio) for the icosahedral C(80) cage carbons. At the same temperature, the (45)Sc NMR exhibits a relatively narrow, symmetric signal (2700 Hz) with a small temperature-dependent Curie shift. A rotation energy barrier (E(a) = 79 meV) was derived from the (45)Sc NMR line-width analysis. Finally, the XPS spectrum for CeSc(2)N@C(80) confirms a +3 oxidation state for cerium, Ce(3+)(4f(1)5d(0)). This oxidation state and the Curie shift are consistent with a weakly paramagnetic system with a single buried f electron spin.
pubmed:grant
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
0002-7863
pubmed:author
pubmed:issnType
Print
pubmed:day
12
pubmed:volume
128
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
8884-9
pubmed:dateRevised
2009-11-3
pubmed:meshHeading
pubmed:year
2006
pubmed:articleTitle
Preparation and structure of CeSc2N@C80: an icosahedral carbon cage enclosing an acentric CeSc2N unit with buried f electron spin.
pubmed:affiliation
Department of Chemistry, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, USA.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, Non-P.H.S., Research Support, N.I.H., Extramural