Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/10187
Full metadata record
DC FieldValueLanguage
dc.contributor.authorStanković, Vladimir-
dc.contributor.authorMarkovic, Svetlana-
dc.contributor.authorGutman I.-
dc.contributor.authorSretenovic Z.-
dc.date.accessioned2021-04-20T15:06:24Z-
dc.date.available2021-04-20T15:06:24Z-
dc.date.issued2010-
dc.identifier.issn1610-2940-
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/10187-
dc.description.abstractThe mechanism of transformation of two radicals (R1p and R1i) obtained by addition of a hydrogen atom to an external and internal carbon atom of dicyclopenta[de,mn]anthracene (P1) was investigated. Two pathways were revealed. The first mechanism is a one-step process, whereas the second mechanism includes two transition states and a cyclobutyl intermediate. The formation of R1p and R1i and the homolytic cleavage of the radicals obtained during the isomerization processes were also examined. In both pathways the addition of a hydrogen atom to the internal carbon significantly lowers the activation energy for hydrogen-mediated isomerization of P1 to acefluoranthene. This finding could be explained by the specific electronic structures of the transition states and intermediates participating in the isomerization processes. [Figure not available: see fulltext.] © 2010 Springer-Verlag.-
dc.rightsrestrictedAccess-
dc.sourceJournal of Molecular Modeling-
dc.titleHydrogen-mediated Stone-Wales isomerization of dicyclopenta[de,mn] anthracene-
dc.typearticle-
dc.identifier.doi10.1007/s00894-010-0669-9-
dc.identifier.scopus2-s2.0-77955335340-
Appears in Collections:Faculty of Science, Kragujevac

Page views(s)

121

Downloads(s)

7

Files in This Item:
File Description SizeFormat 
PaperMissing.pdf
  Restricted Access
29.86 kBAdobe PDFThumbnail
View/Open


Items in SCIDAR are protected by copyright, with all rights reserved, unless otherwise indicated.