Linked Life Data

17226829

Source:http://linkedlifedata.com/resource/pubmed/id/17226829

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
4
pubmed:dateCreated
2007-1-24
pubmed:abstractText
Recently, a new non-IPR chlorofullerene C(54)Cl(8) was isolated experimentally (Science 2004, 304, 699). To explore the ways to stabilize non-IPR fullerenes, the authors studied all of the possible isomers of C(54) fullerene and some of the C(54)Cl(8) isomers at PM3, B3LYP/3-21G, and B3LYP/6-31G* levels. Combined with analysis of pentagon distributions, bond resonance energies, and steric strains, C(54):540 with the least number of 5/5 bonds was determined to be the thermodynamically best isomer for the C(54)Cl(8). Based on C(54):540, the most probable structure of the experimental C(54)Cl(8) was elucidated. The results suggested one of the necessary conditions of stabilizing non-IPR fullerenes: chemical derivatizations of either endohedral complexation or exohedral addition need to sufficiently stabilize all of the kinetically unstable 5/5 bonds of the cages.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
0192-8651
pubmed:author
pubmed:issnType
Print
pubmed:volume
28
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
795-801
pubmed:meshHeading
pubmed:year
2007
pubmed:articleTitle
The way of stabilizing non-IPR fullerenes and structural elucidation of C(54)Cl(8).
pubmed:affiliation
Laboratory for Bio-Environmental Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't