BN ALTERNANTS - BORON-NITRIDE CAGES AND POLYMERS Academic Article

abstract

• BN alternants with borons and nitrogens fully replacing alternant sets of carbons in an alternant hydrocarbon form a special class of species of natural interest. The Hckel model for general BN alternants and certain extended Hckel models for regular BN alternants are shown to be simply soluble in terms of the eigensolutions for the corresponding alternant hydrocarbons. The difference in the electronegativities for boron and nitrogen implies the opening of HOMO-LUMO gaps for alternant BN clusters-or equivalently the opening of band gaps (at the Fermi energy) for BN alternant polymers. Infinite classes first of octahedral-symmetry fullerenoid cages and second of buckytube polymers are considered. 1995, American Chemical Society. All rights reserved.

authors

• Klein, Douglas

published proceedings

• INORGANIC CHEMISTRY

author list (cited authors)

• ZHU, H. Y., KLEIN, D. J., SEITZ, W. A., & MARCH, N. H.

citation count

• 58

complete list of authors

• ZHU, HY||KLEIN, DJ||SEITZ, WA||MARCH, NH

publication date

• March 1995

publisher

• American Chemical Society (ACS)  Publisher

published in

• Inorganic Chemistry  Journal

Digital Object Identifier (DOI)

• 10.1021/ic00110a015

start page

• 1377

end page

• 1383

volume

• 34

issue

• 6

URL

• http://dx.doi.org/10.1021/ic00110a015