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MNDO Study of Boron-Nitrogen Analogues of Buckminsterfullerene.

Author: Xinfu Xia; Daniel A Jelski; James R Bowser; Thomas F George; WASHINGTON STATE UNIV PULLMAN DEPT OF CHEMISTRY.
Publisher: Ft. Belvoir : Defense Technical Information Center, MAR 1992.
Edition/Format:   eBook : English
Database:WorldCat
Summary:
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  Read more...
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Material Type: Internet resource
Document Type: Internet Resource
All Authors / Contributors: Xinfu Xia; Daniel A Jelski; James R Bowser; Thomas F George; WASHINGTON STATE UNIV PULLMAN DEPT OF CHEMISTRY.
OCLC Number: 227778518
Notes: Technical rept.
Description: 16 p. ; 23 x 29 cm.

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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