Coordination-induced reversible electrical conductivity variation in the MOF-74 analogue Fe[subscript 2](DSBDC)

Inner-sphere changes at the open Fe centers in Fe[subscript 2](DSBDC) (DSBDC[superscript 4-] = 2,5-disulfidobenzene-1,4-dicarboxylate), as caused by coordination and release of solvent molecules, lead to reversible structural and electrical conductivity changes. Specifically, coordination of N,N-dim...

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Bibliographic Details
Main Authors: Hendon, Christopher H., Sun, Lei, Dinca, Mircea
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Published: Royal Society of Chemistry 2018
Online Access:http://hdl.handle.net/1721.1/117509
https://orcid.org/0000-0002-1262-1264
Description
Summary:Inner-sphere changes at the open Fe centers in Fe[subscript 2](DSBDC) (DSBDC[superscript 4-] = 2,5-disulfidobenzene-1,4-dicarboxylate), as caused by coordination and release of solvent molecules, lead to reversible structural and electrical conductivity changes. Specifically, coordination of N,N-dimethylformamide (DMF) to the open Fe sites improves the room-temperature electrical conductivity by three orders of magnitude. Supported by additional density functional theory calculations, we attribute the electrical conductivity enhancement to partial electron transfer from Fe to DMF, which generates hole carriers and improves the charge carrier density in Fe[subscript 2](DSBDC).