Your browser doesn't support javascript.
loading
The role of intermolecular interactions in [Fe(X-salEen)2]ClO4 spin crossover complexes.
Bento, Marcos A; Gomes, Tiago; Martins, Frederico F; Gil, Adrià; Ferreira, Liliana P; Barroso, Sónia; Gomes, Clara S B; Garcia, Yann; Martinho, Paulo N.
Afiliación
  • Bento MA; Centro de Química Estrutural, Institute of Molecular Sciences, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt.
  • Gomes T; Centro de Química Estrutural, Institute of Molecular Sciences, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt.
  • Martins FF; BioISI - Biosystems & Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal.
  • Gil A; BioISI - Biosystems & Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal.
  • Ferreira LP; Departament de Química, Física i Ciències Ambientals i del Sòl, ETSEA - Escola Tècnica Superior d'Enginyeria Agrària, Universitat de Lleida, Av. de l'alcalde Rovira Roure, 191, E25198, Lleida, Catalunya, Spain.
  • Barroso S; Department of Physics, University of Coimbra, 3004-516 Coimbra, Portugal.
  • Gomes CSB; Centro de Física Teórica e Computacional, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, Edifício C8, 1749-016 Lisboa, Portugal.
  • Garcia Y; UCIBIO, Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal.
  • Martinho PN; i4HB, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal.
Dalton Trans ; 53(20): 8791-8802, 2024 May 21.
Article en En | MEDLINE | ID: mdl-38713065
ABSTRACT
Two new spin crossover (SCO) Fe(III) compounds were prepared, their structures were analysed and their magnetic properties were investigated. An exhaustive analysis of the effects of halogen substitution and aromatic ring functionalisation on the magnetic properties of non-solvated Fe(III) perchlorate complexes has been performed. Through comparative analysis, different magnetic profiles were found for the compounds studied, namely F (1), Cl (2), H (3), Br (4a, 4b), and I (5). Using tools like Hirshfeld analysis, the study revealed patterns in octahedral distortions and deviations from the ideal octahedral geometry. The SCO phenomenon as the conducting wire in this study, emphasises the influence of intermolecular interactions on the low spin (LS) to high spin (HS) transitions in these halogen-substituted complexes. The prevalence of H⋯H contributions has been demonstrated, albeit being the weakest and an inverse strength relationship in H⋯X interactions ranging from F to I. The findings not only interpret the intricate balance between halogen substitution, functionalisation, and intermolecular interactions in modulating magnetic properties but also direct future works in designing similar molecular systems.
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Dalton Trans Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Portugal Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Dalton Trans Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Portugal Pais de publicación: Reino Unido