MNDO STUDY OF BORON NITROGEN ANALOGS OF BUCKMINSTERFULLERENE

被引：102
|
作者：
XIA, XF
JELSKI, DA
BOWSER, JR
GEORGE, TF
机构：
[1] SUNY COLL FREDONIA,DEPT CHEM,FREDONIA,NY 14063
[2] SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14260
[3] WASHINGTON STATE UNIV,DEPT CHEM,PULLMAN,WA 99164
[4] WASHINGTON STATE UNIV,DEPT PHYS,PULLMAN,WA 99164
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1992年 / 114卷 / 16期
关键词：
D O I：
10.1021/ja00042a032
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An MNDO study of boron-nitrogen analogues of buckminsterfullerene is presented. The relative properties of (@C60), (@B2C58), (@N2C58), (@BNC58), (@C12B24N24), and (@B30N30) 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 (@B30N30) Will be stable and should be relatively simple to synthesize from borazine.
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页码：6493 / 6496
页数：4
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