New formulas for distance-based indices of Helicenes via benzene rings and their correlation with physicochemical properties.
نویسندگان
1 Department of Mathematics, Faculty of Mathematics, Statistics and Computer Science, Semnan University, Semnan, Iran
2 Department of Mathematics, Faculty of Mathematics, Statistics and Computer Science, Semnan University, Semnan, Iran
doi
10.22061/jdma.2025.11790.1117چکیده
Helically-shaped chiral molecules are produced when benzene rings are angularly annulated to form Helicenes. Helicenes are ortho-condensed polycyclic aromatic compounds with the chemical formula $C_{4n+2} H_{2n+4}$ that have received attention due to their distinct structural, spectral, and optical properties, alluring physicochemical properties, and their application in various research fields. In this article, novel formulas of Szeged, Padmakar-Ivan, and Mostar indices are obtained through SMP-polynomials for Helicenes. These formulas do not need to count edges and can be calculated based on the number of benzene rings of Helicenes. Then, the results are displayed numerically and graphically and the topological indices are compared. Finally, the study explores the correlation between these indices and several physicochemical characteristics of different helicenes.
