MNDO Study of Boron-Nitrogen Analogues of Buckminsterfullerene

Abstract

An MNDO study of boron-nitrogen analogues of buckminsterfullerene is presented. The relative properties of (Carbon(60)), (Boron carbon), (Nitrogen carbon), (Boron carbon), (Carbon boron nitrogen) and (Boron nitrogen) are studied. The heats of formation of such 60-atom systems from benzene, naphthalene and their BN analogues are compared. It is found that all these hybrids are approximately as stable as buckminsterfullerene. Surprisingly, it is predicted that (Boron nitrogen) will be stable and should be relatively simple to synthesize from borazine.

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Document Details

Document Type
Technical Report
Publication Date
Mar 01, 1992
Accession Number
ADA247777

Entities

People

  • Daniel A. Jelski
  • James R. Bowser
  • Thomas F. George
  • Xinfu Xia

Organizations

  • Washington State University

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Chemical Properties
  • Chemistry
  • Classification
  • Electron Transfer
  • Electrons
  • Energy
  • Fullerenes
  • Heat Energy
  • Heat Of Formation
  • High Temperature
  • Molecules
  • New York
  • Physics
  • Security
  • United States
  • Universities

Fields of Study

  • Chemistry
  • Physics

Readers

  • Combustion science or combustion engineering.
  • Organic Chemistry