Influence of the charge on the reactivity of azafullerenes-Reference-Cited by-同舟云学术

Influence of the charge on the reactivity of azafullerenes

Published:2018 Issue:44 Volume:20 Page:28011-28018
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

García-Rodeja Yago¹²³⁴⁵^ORCID,Solà Miquel⁶⁷⁸⁹¹⁰^ORCID,Fernández Israel¹²³⁴⁵^ORCID

Affiliation:

1. Departamento de Química Orgánica I and Centro de Innovación en Química Avanzada (ORFEO-CINQA)

2. Facultad de Ciencias Químicas

3. Universidad Complutense de Madrid

4. 28040-Madrid

5. Spain

6. Institut de Química Computacional i Catàlisi and Departament de Química

7. Universitat de Girona

8. C/ Maria Aurèlia Capmany

9. 69

10. 17003-Girona

Abstract

The influence of the charge on the Diels–Alder reactivity of azafullerenes (C₅₉N⁺ and C₅₉N⁻) has been computationally explored by means of density functional theory calculations.

Funder

Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya

Ministerio de Economía y Competitividad

European Regional Development Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP06031B

Reference69 articles.

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4. Synthesis of hydroazafullerene C59HN, the parent hydroheterofullerene

5. Fullerene Doping: Preparation of Azafullerene C59NH and Oxafulleroids C59O3 and C60O4

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