Issue 26, 2013
From the journal:

RSC Advances

Density functional theory study of fullerene–carbene Lewis acid–base adducts: critical role of dispersion interactions†

Peng Jina  and  Shigeru Nagase*a  

* Corresponding authors

a Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan
E-mail: nagase@ims.ac.jp

Abstract

Density functional calculations reveal that dispersion attractions play a critical role in the formation of single-bonded fullerene–carbene Lewis acid–base (LA/LB) adducts reported recently, although they do not make an important contribution to regioselective formation. A stable fullerene-based LA/LB adduct is predicted by enhancing dispersion attractions.

Graphical abstract: Density functional theory study of fullerene–carbene Lewis acid–base adducts: critical role of dispersion interactions

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Article information

DOI
https://doi.org/10.1039/C3RA41321G
Article type
Communication
Submitted
19 Mar 2013
Accepted
09 May 2013
First published
09 May 2013

RSC Adv., 2013,3, 10177-10180

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Density functional theory study of fullerene–carbene Lewis acid–base adducts: critical role of dispersion interactions

P. Jin and S. Nagase, RSC Adv., 2013, 3, 10177 DOI: 10.1039/C3RA41321G

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