Studies on Electronic Structures and Spectra of Fullerenes Doped with Nitrogen and Boron(氮杂及硼杂碳笼的电子结构和光谱研究)

用INDO方法研究了氮杂与硼杂碳笼CnX(n=59,69;X=N+,B-)的电子结构和光谱,表明CnX与C60,C70相比将发生结构畸变,氮杂碳笼比硼杂碳笼稳定,C70中靠近极附近的两种C原子易被杂原子置换.本文在对电子跃迁进行理论指认的同时,讨论了光谱红移的原因....

Bibliographic Details
Main Authors:	TENGQi-wen(滕启文), WUShi(吴师)
Format:	Article
Language:	zho
Published:	Zhejiang University Press 1999-04-01
Series:	Zhejiang Daxue xuebao. Lixue ban
Subjects:	氮杂碳笼硼杂碳笼电子光谱 indo
Online Access:	https://doi.org/zjup/1008-9497.1999.26.2.61-64

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