On the use of iterated line graphs in quantitative structure-property studies

Abstract

For a molecular graph G, the iterated line graph sequence is <i>Lⁱ (G), i</i> = 0, 1, 2, .. . . where <i>L⁰(G) = G </i>and <i>L¹ (G) </i>is the line graph of <i>L^i-1 (G), i</i> = 1, 2, . .. .. We determine some basic properties of this sequence and examine the possibility to use it in quantitative structure-property studies. In particular, we examine the dependency of certain physico-chemical properties of alkanes (boiling point, molar volume, molar refraction , heat of vapourization, critical temperature, critical pressure and surface tension) on the Bertz indices of <i>Lⁱ (G).</i>