Double hexagonal chains with maximal energy

摘要

The ground state electron energy of neutral alternant conjugated hydrocarbons has an absolute value that may be identified as the sum of the absolute values of all the electron eigenvalues of its corresponding graph. The "double hexagonal chains" can be considered as benzenoids constructed by successive fusions of naphthalenes along a zig-zag sequence of triples of edges as appear on opposite sides of each naphthalene unit. We show that if the fusions give an all-kink structure (e.g., polybiphenanthrene), then the total pi-electron energy is the maximum from among all the double hexagonal chains with the same number of naphthalene units. (C) 2006 Wiley Periodicals, Inc.