Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role-Reference-Cited by-同舟云学术

Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role

Published:2016 Issue:42 Volume:18 Page:29516-29525
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Miranda-Rojas Sebastián¹²³⁴⁵^ORCID,Sierra-Rosales Paulina⁶⁷⁸⁵⁹,Muñoz-Castro Alvaro¹⁰¹¹⁵⁹,Arratia-Pérez Ramiro¹²⁴⁵⁹¹³,Zagal José Heráclito¹⁴¹⁵¹⁶¹⁷⁹,Mendizábal Fernando¹⁸¹⁹⁸⁵⁹

Affiliation:

1. Chemical Processes and Catalysis (CPC)

2. Departamento de Ciencias Químicas

3. Facultad de Ciencias Exactas

4. Universidad Andres Bello

5. Santiago

6. Centro de Investigación de los Procesos Redox (CiPRex)

7. Facultad de Ciencias Químicas y Farmacéuticas

8. Universidad de Chile

9. Chile

10. Grupo de Química Inorgánica y Materiales Moleculares

11. Universidad Autonoma de Chile

12. Center for Applied Nanosciences (CENAP)

13. Doctorado en Fisicoquímica Molecular

14. Departamento de Química de los Materiales

15. Facultad de Química y Biología

16. Universidad de Santiago de Chile

17. Santiago 9170022

18. Departamento de Química

19. Faculta de Ciencias

Abstract

We report a computational study of supramolecular complexes of metallophthalocyanines (MPcs, M = Fe, Co, Cu) on gold substrates, and the effect of the substrate on their electrocatalytic properties at the DFT and DFT-D3 levels.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP06156G

Reference54 articles.

1. From supramolecular chemistry towards constitutional dynamic chemistry and adaptive chemistry

2. Binding Mechanisms in Supramolecular Complexes

3. Building on architectural principles for three-dimensional metallosupramolecular construction