Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re6(μ3-Q)8X6]4− clusters-Reference-Cited by-同舟云学术

Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re6(μ3-Q)8X6]4− clusters

Published:2018 Issue:7 Volume:42 Page:5471-5478
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Rojas-Poblete Macarena¹²³⁴⁵^ORCID,Carreño Alexander¹²³⁴⁶^ORCID,Gacitúa Manuel⁷⁸³⁴,Páez-Hernández Dayán¹²³⁴⁶^ORCID,Rabanal-León Walter A.⁹¹⁰²³⁴,Arratia-Pérez Ramiro¹²³⁴⁶

Affiliation:

1. Center of Applied Nanosciences (CANS)

2. Universidad Andrés Bello

3. Santiago

4. Chile

5. Universidad Tecnológica de Chile INACAP

6. Núcleo Milenio de Ingeniería Molecular para Catálisis y Biosensores (MECB)

7. Facultad de Química y Biología

8. USACH

9. Departamento de Ciencias Químicas

10. Facultad Ciencias Exactas

Abstract

A Born–Haber thermodynamic cycle was used to determine the redox potential in a series of rhenium(iii) clusters theoretical analysis at DFT level was considered to estimate the free energy of the reversible process ReIII6/ReIII5Re^IV.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Ministerio de Economía, Fomento y Turismo

Comisión Nacional de Investigación Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/NJ/C7NJ05114J

Reference67 articles.

1. An octahedral rhenium(III) cluster: X-ray crystal structure of Na4Re6S10(S2)

2. Ternäre Rheniumsulfide mit [Re6S8]-Clustern

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