A novel topological indexF ^* and its correlation with standard formation enthalpies of AB _n(g) molecules

Abstract

The topological index F^* is defined and obtained by the method of a non-dimensional unit calculation in which three matrices multiply with each other. These matrices represent the connective cases of atoms in a molecule, the structural features of atoms on top and the bonded cases of the adjacent atoms respectively. The standard formation enthalpies of AB_n (g) molecules were correlated with F^* (A=C, Al, Si, Ti, Zr, B=F, Cl, Br, I, H, n=1–4) and these correlation coefficients are all more than 0.96. Some molecules (e.g CH₄, SiH₄,etc.) can be preferably handled by F^* but can not be dealt with by other topological indices. By contrast to traditional hydrogen suppressed graph, the contribution of hydrogen atoms to structures and properties of molecules is considered.

Keywords

topological index / standard formation enthalpies / AB_n(g) molecules / correlativity

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