A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout

Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez

doi:10.1039/c9sc02522g

Title: A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout

Journal Article · 20 June 2019 · Chemical Science

DOI: https://doi.org/10.1039/c9sc02522g · OSTI ID:1579336

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^[2]; García García-Tuñón, Miguel Ángel ^[3];

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IMDEA Nanosciencia, Madrid (Spain)
IMDEA Nanociencia; Madrid; Spain
Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Instituto de Cerámica y Vidrio
UCM-ADIF-CSIC, Las Rozas (Spain). Instituto de Magnetismo Aplicado
Univ. Grenoble Alpes (France)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

Efficient and low cost detection of harmful volatile organic compounds (VOCs) is a major health and environmental need in industrialized societies. For this, tailor-made porous coordination polymers are emerging as promising molecular sensing materials thanks to their responsivity to a wide variety of external stimuli and could be used to complement conventional sensors. Here, a non-porous crystalline 1D Fe(ii) coordination polymer acting as a porous acetonitrile host is presented. The desorption of interstitial acetonitrile is accompanied by magneto-structural transitions easily detectable in the optical and electronic properties of the material. This structural switch and therefore its (opto)electronic readout are reversible under exposure of the crystal to acetonitrile vapor. This simple and robust iron-based coordination polymer could be ideally suited for the construction of multifunctional sensor devices for volatile acetonitrile and potentially for other organic compounds.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1579336

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 27 Vol. 10; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Biased Spin-State Energetics of Fe(II) Molecular Complexes within Density-Functional Theory and the Linear-Response Hubbard U Correction Mariano, Lorenzo A.; Vlaisavljevich, Bess; Poloni, Roberta Journal of Chemical Theory and Computation, Vol. 16, Issue 11 https://doi.org/10.1021/acs.jctc.0c00628	journal	October 2020
Improved Spin-State Energy Differences of Fe(II) molecular and crystalline complexes via the Hubbard U-corrected Density Mariano, Lorenzo A.; Vlaisavljevich, Bess; Poloni, Roberta arXiv https://doi.org/10.48550/arxiv.2101.07035	preprint	January 2021
C–H···π(metal–ligand ring) interaction in a mesaconate bridged Cd(II) 1-D coordination polymer: structural elucidation, theoretical study, and photophysical properties Alothman, Zeid Abdullah; Dutta, Basudeb; Alam, Seikh Mafiz Journal of Coordination Chemistry, Vol. 73, Issue 7 https://doi.org/10.1080/00958972.2020.1758932	journal	April 2020
C–H···π(metal–ligand ring) interaction in a mesaconate bridged Cd(II) 1-D coordination polymer: structural elucidation, theoretical study, and photophysical properties Alothman, Zeid Abdullah; Dutta, Basudeb; Alam, Seikh Mafiz Taylor & Francis https://doi.org/10.6084/m9.figshare.12293522	text	January 2020
C–H···π(metal–ligand ring) interaction in a mesaconate bridged Cd(II) 1-D coordination polymer: structural elucidation, theoretical study, and photophysical properties Alothman, Zeid Abdullah; Dutta, Basudeb; Alam, Seikh Mafiz Taylor & Francis https://doi.org/10.6084/m9.figshare.12293522.v1	text	January 2020

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