Accession Number : ADA242327

Title :   Stability and Structure of C12B24N24: A Hybrid Analog of Buckminsterfullerene,

Corporate Author : WASHINGTON STATE UNIV PULLMAN DEPT OF CHEMISTRY

Personal Author(s) : George, Thomas F. ; Bowser, James R. ; Jelski, Daniel A.

Report Date : OCT 1991

Pagination or Media Count : 9

Abstract : The results of a study of the substituted buckminsterfullerence C12B24N24 are presented. Computational evidence is given for its stability, the molecular structure is discussed, and a possible synthetic route is proposed. The sixty-vertex, truncated icosahedral cluster system known as buckminsterfullerene has attracted increased attention following recent repairs of its laboratory-scale synthesis. Such large clusters provide a bridge between atomic and macroscopic species, and hence have considerable technological importance--for example, in electrochemistry, ferromagnetism, and superconductivity. Various efforts to add heteroatoms (especially nucleophiles) to the periphery of C60 frameworks have been successful. Smalley and co-workers doped C60 with boron and nitrogen atoms, with mass spectral evidence for C59B, C59N, C58BN, etc. having been obtained. The C58BN cluster is especially intriguing. The isoelectronic relationship between boron-nitrogen and dicarbon molecular fragments is well documented, and is manifested in a variety of ways. For example, the structural chemistry of boron nitride closely parallels that of elemental carbon--hexagonal BN is an analog of graphite, while Beta-BN is isostructural with diamond.

Descriptors :   ANALOG SYSTEMS, ATOMS, BORON, BORON NITRIDES, CLUSTERING, COMPUTATIONS, ELECTROCHEMISTRY, FERROMAGNETISM, FRAGMENTS, GRAPHITE, HYBRID SYSTEMS, MASS SPECTRA, MOLECULAR STRUCTURE, MOLECULES, NITROGEN, REPAIR, SUPERCONDUCTIVITY.

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE