Charge-transfer interactions between fullerenes and a mesoporous tetrathiafulvalene-based metal-organic framework

Manuel Souto, Joaquín Calbo, Samuel Mañas-Valero, Aron Walsh, Guillermo Mínguez Espallargas

Research output: Contribution to journalArticle

Abstract

The design of metal-organic frameworks (MOFs) incorporating electroactive guest molecules in the pores has become a subject of great interest in order to obtain additional electrical functionalities within the framework while maintaining porosity. Understanding the charge-transfer (CT) process between the framework and the guest molecules is a crucial step towards the design of new electroactive MOFs. Herein, we present the encapsulation of fullerenes (C60) in a mesoporous tetrathiafulvalene (TTF)-based MOF. The CT process between the electron-acceptor C60 guest and the electron-donor TTF ligand is studied in detail by means of different spectroscopic techniques and density functional theory (DFT) calculations. Importantly, gas sorption measurements demonstrate that sorption capacity is maintained after encapsulation of fullerenes, whereas the electrical conductivity is increased by two orders of magnitude due to the CT interactions between C60 and the TTF-based framework.

Original languageEnglish
Pages (from-to)1883-1893
Number of pages11
JournalBeilstein Journal of Nanotechnology
Volume10
DOIs
Publication statusPublished - 2019 Jan 1

Fingerprint

Fullerenes
fullerenes
Charge transfer
Metals
charge transfer
Encapsulation
sorption
Sorption
metals
porosity
Molecules
Electrons
interactions
Density functional theory
molecules
electrons
Porosity
Gases
Ligands
density functional theory

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Physics and Astronomy(all)
  • Electrical and Electronic Engineering

Cite this

Souto, Manuel ; Calbo, Joaquín ; Mañas-Valero, Samuel ; Walsh, Aron ; Espallargas, Guillermo Mínguez. / Charge-transfer interactions between fullerenes and a mesoporous tetrathiafulvalene-based metal-organic framework. In: Beilstein Journal of Nanotechnology. 2019 ; Vol. 10. pp. 1883-1893.
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Charge-transfer interactions between fullerenes and a mesoporous tetrathiafulvalene-based metal-organic framework. / Souto, Manuel; Calbo, Joaquín; Mañas-Valero, Samuel; Walsh, Aron; Espallargas, Guillermo Mínguez.

In: Beilstein Journal of Nanotechnology, Vol. 10, 01.01.2019, p. 1883-1893.

Research output: Contribution to journalArticle

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