Linked Life Data

17469824

Source:http://linkedlifedata.com/resource/pubmed/id/17469824

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
20
pubmed:dateCreated
2007-5-16
pubmed:abstractText
The formation of peripentacene during the high-temperature vacuum sublimation of pentacene (P) in the presence of trace amounts of 6,13-dihydropentacene (DHP) has been studied computationally with density functional theory. Computational and kinetic analyses indicate that competing mechanisms involving a series of H atom transfers initiated by hydrogen transfer from DHP to P can account for the formation of peripentacene. The overall reaction is predicted to proceed with a free energy barrier of 36.1 kcal/mol and to be autocatalytic. Kinetic modeling supports the proposed mechanism.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
May
pubmed:issn
0002-7863
pubmed:author
pubmed:issnType
Print
pubmed:day
23
pubmed:volume
129
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
6536-46
pubmed:year
2007
pubmed:articleTitle
On the mechanism of peripentacene formation from pentacene: computational studies of a prototype for graphene formation from smaller acenes.
pubmed:affiliation
Department of Chemistry and Biochemistry, University of California-Los Angeles, Los Angeles, CA 90095, USA.
pubmed:publicationType
Journal Article