شماره ركورد كنفرانس :
3776
عنوان مقاله :
The Electron Affinity Energy of Aromatic Hydrocarbon; Rylenes
پديدآورندگان :
Khakpoor Ali Asghar Ali.khakpoor@iauctb.ac.ir Islamic Azad University- Central Tehran Branch, Tehran , Agahi Keshe Bahare Islamic Azad University- Science and Research Branch, Tehran , Mazdarani Maryam Islamic Azad University- West Tehran Branch, Tehran
عنوان كنفرانس :
بيست چهارمين سمينار شيمي آلي ايران
چكيده فارسي :
Aromatic hydrocarbon from the root of benzene can provide suitable environments for
electron transition due to p orbitals, upper and lower electron clouds, and resonance
phenomenon. Rylenes is a family of organic molecules with the chemical formula of
C10nH4n+4which is focused in nanomedicines.Topological Indices, introduced in chemistry
science using molecular graphs, are real numbers and constant [1]. The RRR index (Reduced
Reciprocal Randic) has been firstly defined by Ivan Gutman in 2014 [2].Consider simple
graph of Rylenes (C10nH4n+4) as presented in Figure 1. It is first tried to produce a relationship
between the RRR indexesbased on the number of rings (n) as the following:
RRR(G) (16 4 2)n 8 (1)
Then RRR index is measured for Rylenes usingequation (1). The electron affinity energy
(Eaff) of Rylenes was calculated using Gaussian 09 software and data were compared with
those mentioned in valid papers[3]. Figure 2 shows the changes in Eaff ofRylenesaccording to
the RRR index. Therefore, Eaff ofRylenescould be well predicted by the following equation:
1.1516 3.1243