New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules

Author:

Zarroug Rim12,Artetxe Beñat3ORCID,Ayed Brahim1,López Xavier4ORCID,Ribeiro Nádia5ORCID,Correia Isabel5,Pessoa João Costa5ORCID

Affiliation:

1. University of Monastir, Laboratory of Physico-Chemistry of Materials LR01ES19, Faculty of Sciences of Monastir, Tunisia

2. Department of Chemistry, Faculty of Sciences, University of Gabes, Tunisia

3. Departamento de Química Inorgánica, Facultad de Ciencia y Tecnología, Universidad del País Vasco UPV/EHU, 48080 Bilbao, Spain

4. Universitat Rovira i Virgili, Departament de Química Física i Inorgànica, c/Marcel·lí Domingo 1, 43007 Tarragona, Spain

5. Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Engenharia Química, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal

Abstract

Two new crystal structures of phosphotetradecavanadates are reported and theoretical calculations, including DFT analysis, disclose their intermolecular binding interactions.

Funder

Universidade de Lisboa

Ministère de l’Enseignement Supérieur et de la Recherche Scientifique

University of Gabès

Instituto Superior Técnico

Eusko Jaurlaritza

Fundação para a Ciência e a Tecnologia

Universitat Rovira i Virgili

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

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