Equiseparable molecules and molecular graphs

Abstract

By deleting an edge ei from the molecular graph G of an acyclic molecule, it decomposes into two fragments, with nl(ei│G) and vertices, nl(ei│G) ≤ n2(ei│G) i=1,2,..,m. If the edges of the graphs Gʹ and G", representing two isomeric acyclic molecules, can be chosen so that nl(ei│Gʹ)= nl(ei│Gʹʹ) holds for all i=1.2 .. ...m, then Gʹ and G" are said to be equiseparable. The respective two isomeric molecules are also said to be equiseparable. The main (known) physicochemical consequences of equiseparability are pointed out. A general method for designing pairs of equiseparable molecular graphs is described, by which large sets of equiseparable species can be constructed.