화학공학소재연구정보센터
Chemical Physics Letters, Vol.523, 92-97, 2012
General formula for accurate calculation of halofullerenes polarizability
At the first time mean polarizabilities of fluoro-, chloro-, bromo[60]fullerenes have been calculated. The dependences of halofullerenes polarizabilities on the structure and the number of halogen atoms in a molecule have been analyzed. The phenomenon of polarizability depression is typical for all compounds under study. General formula for calculation of all classes of halofullerenes mean polarizabilities has been derived based on polarizability depression. Its applicability to related compounds (C-70 fullerene choroderivatives and hypothetical iodo[60] fullerenes) has been shown. (C) 2011 Elsevier B.V. All rights reserved.