Stability and Structure of C12B24N24: A Hybrid Analog of Buckminsterfullerene,
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 01, 1991
- Accession Number
- ADA242327
Entities
People
- Daniel A. Jelski
- James R. Bowser
- Thomas F. George
Organizations
- Washington State University