
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/">
  <dc:description xml:lang="eng">Abstract: DFT calculations have been used to corroborate two regularities resulting from the analysis of cyclic conjugation in benzo-annelated perylenes reported earlier, viz., (a) the annelation of a benzene ring in angular position increases the extent of cyclic conjugation in the central ring, and, (b) the annelation of a benzene ring in linear position decreases the extent of cyclic conjugation in the central ring of benzo-annelated perylenes [Gutman et al., Mon Chem, 135 (2004) 1389]. In addition, a new method for assessing the pairwise energy effect is used to rationalize the obtained results. In the case of benzo-annelated perylenes, the pairwise energy effect is found to be related to the total π-electron energy of the two-ring-deleted conjugated fragment.</dc:description>
  <dc:language>eng</dc:language>
  <dc:rights>All rights reserved</dc:rights>
  <dc:source>Indian Journal of Chemistry</dc:source>
  <dc:source>vol. 48</dc:source>
  <dc:source>br. 12</dc:source>
  <dc:source>str. 1657-1661</dc:source>
  <dc:format>application/pdf</dc:format>
  <dc:format>212737 bytes</dc:format>
  <dc:identifier>https://phaidrabg.bg.ac.rs/o:34074</dc:identifier>
  <dc:identifier>ISSN: 0376-4710</dc:identifier>
  <dc:date>2009</dc:date>
  <dc:creator id="https://orcid.org/0000-0002-1928-5494">Radenković, Slavko</dc:creator>
  <dc:creator>Linert, Wolfgang</dc:creator>
  <dc:creator id="https://orcid.org/0000-0001-9681-1550">Gutman, Ivan</dc:creator>
  <dc:creator id="https://orcid.org/0000-0001-5571-6880">Jeremić, Svetlana</dc:creator>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:title xml:lang="eng">Pairwise energy effects of rings in benzo-annelated perylenes</dc:title>
  <dc:subject xml:lang="eng">Keywords: Theoretical chemistry, Graph theory, Cyclic conjugation, Pairwise energy, Perylenes, Benzo-annelated perylenes</dc:subject>
</oai_dc:dc>
