DataVXChemistry of MaterialsPaper
journal article·2023-08-08Open access

Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework

Ana Martinez-Martinez, Esther Resines-Urien, Lucía Piñeiro-López, Angel Fernández-Blanco, Antonio Lorenzo Mariano, Jorge Albalad, Daniel Maspoch, Roberta Poloni, Jose Alberto Rodríguez-Velamazán, E. Carolina Sañudo, Enrique Burzurí, José Sánchez Costa

Chemistry of Materials· Volume 35· Issue 15
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Source abstract

Abstract

Molecule-based spin crossover (SCO) materials display likely one of the most spectacular switchable processes. The SCO involves reversible changes in their physicochemical properties (i.e. optical, magnetic, electronic, and elastic) that are coupled with the spin-state change under an external perturbation (i.e. temperature, light, magnetic field, or the inclusion/release of analytes). Although very promising for their future integration into electronic devices, most SCO compounds show two major drawbacks: (i) their intrinsic low conductance and (ii) the unclear mechanism connecting the spin-state change and the electrical conductivity. Herein, we report the controlled single-crystal-to-single-crystal temperature-induced transformation in a robust metal–organic framework, [Fe 2 (H 0.67 bdt) 3 ]·9H 2 O ( 1 ), being bdt 2– = 1,4-benzeneditetrazolate, exhibiting a dynamic spin-state change concomitant with an increment in the anisotropic electrical conductance. Compound 1 remains intact during the SCO process even after approximately a 15% volume reduction. The experimental findings are rationalized by analyzing the electronic delocalization of the frontier states by means of density-functional theory calculations. The results point to a correlation between the spin-state of the iron and the electronic conductivity of the 3D structure. In addition, the reversibility of the process is proved.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Magnetism in coordination complexes · Organic and Molecular Conductors Research · Metal complexes synthesis and properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

IMDEA Nanociencia, C/ Faraday 9, Ciudad Universitaria de Cantoblanco, 28049 Madrid, Spain

Institut Laue-Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9, France

Univ. Grenoble Alpes, CNRS, SIMAP, 38000 Grenoble, France

Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology, Campus UAB, Bellaterra, 08193 Barcelona, Spain

Departament de Química, Facultat de Ciències Universitat Autònoma de Barcelona, Bellaterra, 08193 Barcelona, Spain

ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain

Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica, Universidad de Barcelona, C/Martí i Franqués 1-11, 08028 Barcelona, Spain

Institut de Nanociència i Nanotecnologia, Universitat de Barcelona (IN2UB), C/Martí i Franqués 1-11, 08028 Barcelona, Spain

Departamento de Física de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, 28049 Madrid, Spain

Funding

Comunidad de Madrid · Ministerio de Ciencia e Innovaci?n · Ministerio de Econom?a y Competitividad · Agencia Estatal de Investigaci?n,Ministerio de Ciencia, Innovaci?n y Universidades

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