CONVEX VS CONCAVE PI-FACIAL BINDING OF METAL-CATIONS TO A SEMIBUCKMINSTERFULLERENE - AN AB-INITIO STUDY

Authors
SYGULA A RABIDEAU PW
Citation
A. Sygula et Pw. Rabideau, CONVEX VS CONCAVE PI-FACIAL BINDING OF METAL-CATIONS TO A SEMIBUCKMINSTERFULLERENE - AN AB-INITIO STUDY, Journal of the Chemical Society, Chemical Communications, (19), 1994, pp. 2271-2272
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Journal of the Chemical Society, Chemical Communications → ACNP
ISSN journal
00224936
Issue
19
Year of publication
1994
Pages
2271 - 2272
Database
ISI
SICI code
0022-4936(1994):19<2271:CVCPBO>2.0.ZU;2-7
Abstract
In contrast with both MNDO and PM3 semiempirical calculations that pre dict preferential binding of a number of metal cations to the convex f ace of triindenotriphenylene, ab initio calculations suggest modest to strong preference for the concave side in six of seven cases studied.