%0 Journal Article
%T The stability, frontier orbitals, bond character, and static linear polarizability of the fluorinated fullerene H20@C80F60<br>
%A Tang Chun-Mei
%A Cao Qing-Song
%A Zhu Wei-Hua
%A Deng Kai-Ming
%A <br>
%J 中国物理 B
%D 2010
%I 
%X This paper uses the density functional theory under generalised gradient approximation to analyse the stability, frontier orbitals, bond character, and static linear polarizability of H20@C80F60, which has not been isolated, as well as those of the synthesised H20@C80F60. The H20@C80F60 should be considerably stable by analysing its energy and aromaticity. The inside H and outside x will play different role in the chemical reaction involving H20@C80F60 (X= H and F). The covalence of C--H bond is in the order that the inside C--H bond of H20@C80F60> the inside C--H bond of H20@C80F60> the outside C--H bond of H20@C80F60, whereas the C--F bond of H20@C80F60 have both the covalent and ionic characters. The static linear polarizabilities of C80 and H20@C80X60 (X= H and F) are all isotropic.
%K C80
%K H20@C80H60
%K H20@C80F60
%K density functional theory<br>
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=CD8D6A6897B9334F09D8D1648C376FB4&aid=A2213E20F96E78E77ACFC3FD406D0480&yid=140ECF96957D60B2&vid=2A8D03AD8076A2E3&iid=38B194292C032A66&journal_id=1009-1963&journal_name=中国物理&referenced_num=0&reference_num=22