Novel topological properties and entropy studies of the rectangular oligomer hexagonal cycloarene structure

Yamaç K., Taş Z., Ediz S., Çiftçi İ.

MATI, vol.5, no.2, pp.29-46, 2023 (Peer-Reviewed Journal)

  • Publication Type: Article / Article
  • Volume: 5 Issue: 2
  • Publication Date: 2023
  • Doi Number: 10.5281/zenodo.8397073
  • Journal Name: MATI
  • Journal Indexes: Asos İndeks
  • Page Numbers: pp.29-46
  • Van Yüzüncü Yıl University Affiliated: Yes


Topological indices are precise chemical descriptors that are highly useful in connecting molecules to their physical properties. They were discovered by using graph-theoretical techniques. In order to create cycloarenes, a subclass of polycyclic aromatic hydrocarbons, benzene rings must be arranged in a circular pattern. These molecules have recently received a lot of attention due to their unusual electrical characteristics and pore structure, which enable their immediate practical use. In this study, we develop analytical formulations for different R, S, and Van indices of the rectangular hexagonal cycloarene structure. The validity of these indexes is then supported by the data. In order to evaluate the quantitative structure-property relationships of these compounds with different electrical and spectroscopic properties, statistical methods are also used. instead of the commonly known concept of entropy in thermodynamics.