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Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60
Zhu Chuanbao; Yan Jimin
1996
Source PublicationACTA PHYSICO-CHIMICA SINICA
ISSN1000-6818
Volume12Issue:9Pages:796-803
AbstractThe energy variation during the formation of the titled endohedral complexes X@C-60 (X=atoms of the Group IA or the Group VIIA), and the bonding nature and the variation character or the at in C-60 cage all have been investigated from the viewpoint of intramolecular interaction. The results demonstrated that (1) the force field in C-60 cage is of nearly spherical symmetry; (2) the total interaction and its components vary regularly with the atomic numbers or radii, of X; (3) all concerned endohedral atoms except for I, contribute considerably to the stabilities of X@C-60 by way of the interaction between C-60 cage and them; (4) each X has a special energy minimum location in the cage, at or off the cage center, and this location is due to the resultant effect from the various interactions, but not to the formation of chemical bond between X and C-60 cage; (5) in settee, the interaction in C-60 cage is of typical non-bonding characteristics, with similar to 90% electrostatic interaction and similar to 10% repulsive and dispersive interactions.
KeywordC-60 Endohedral Complex X@c-60 Interaction Non-bonding
DOI10.3866/PKU.WHXB19960905
Indexed BySCI
Language英语
WOS IDWOS:000207600200005
PublisherPEKING UNIV PRESS
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74072
Collection中国科学院化学研究所
Corresponding AuthorZhu Chuanbao
AffiliationAcad Sinica, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhu Chuanbao,Yan Jimin. Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60[J]. ACTA PHYSICO-CHIMICA SINICA,1996,12(9):796-803.
APA Zhu Chuanbao,&Yan Jimin.(1996).Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60.ACTA PHYSICO-CHIMICA SINICA,12(9),796-803.
MLA Zhu Chuanbao,et al."Investigation on Characteristics of Interaction and Bonding Nature in C-60 Cage of Endohedral Complexes X@C-60".ACTA PHYSICO-CHIMICA SINICA 12.9(1996):796-803.
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