o:34074 Pairwise energy effects of rings in benzo-annelated perylenes en 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. Keywords: Theoretical chemistry, Graph theory, Cyclic conjugation, Pairwise energy, Perylenes, Benzo-annelated perylenes 1552101 0376-4710 2024-06-19T16:29:13.137Z 44 no 46 Slavko Radenković 0000-0002-1928-5494 Wolfgang Linert person Ivan Gutman person 0000-0001-9681-1550 Svetlana Jeremić Državni univerzitet u Novom Pazaru person 0000-0001-5571-6880 application/pdf 212737 https://phaidrabg.bg.ac.rs/o:34074 no yes 1 70 92000001 20A01 Indian Journal of Chemistry 48 12 1657 1661 2009