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Semiconductor Porous Hydrogen-Bonded Organic Frameworks Based on Tetrathiafulvalene Derivatives

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Semiconductor Porous Hydrogen-Bonded Organic Frameworks Based on Tetrathiafulvalene Derivatives

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dc.contributor.author	Vicent-Morales, María
dc.contributor.author	Esteve-Rochina, María
dc.contributor.author	Calbo Roig, Joaquín
dc.contributor.author	Ortí Guillén, Enrique
dc.contributor.author	Vitórica-Yrezábal, Iñigo J.
dc.contributor.author	Mínguez Espallargas, Guillermo
dc.date.accessioned	2022-07-15T13:15:41Z
dc.date.available	2022-07-15T13:15:41Z
dc.date.issued	2022
dc.identifier.citation	Vicent-Morales, María Esteve-Rochina, María Calbo Roig, Joaquín Ortí Guillén, Enrique Vitórica-Yrezábal, Iñigo J. Mínguez Espallargas, Guillermo 2022 Semiconductor Porous Hydrogen-Bonded Organic Frameworks Based on Tetrathiafulvalene Derivatives Journal of the American Chemical Society 144 20 9074 9082
dc.identifier.uri	https://hdl.handle.net/10550/83448
dc.description.abstract	Herein, we report on the use of tetrathiavulvalene-tetrabenzoic acid, H4TTFTB, to engender semiconductivity in porous hydrogen-bonded organic frameworks (HOFs). By tuning the synthetic conditions, three different polymorphs have been obtained, denoted MUV-20a, MUV-20b, and MUV-21, all of them presenting open structures (22, 15, and 27%, respectively) and suitable TTF stacking for efficient orbital overlap. Whereas MUV-21 collapses during the activation process, MUV-20a and MUV-20b offer high stability evacuation, with a CO2 sorption capacity of 1.91 and 1.71 mmol g-1, respectively, at 10 °C and 6 bar. Interestingly, both MUV-20a and MUV-20b present a zwitterionic character with a positively charged TTF core and a negatively charged carboxylate group. First-principles calculations predict the emergence of remarkable charge transport by means of a through-space hopping mechanism fostered by an efficient TTF π-π stacking and the spontaneous formation of persistent charge carriers in the form of radical TTF¿+ units. Transport measurements confirm the efficient charge transport in zwitterionic MUV-20a and MUV-20b with no need for postsynthetic treatment (e.g., electrochemical oxidation or doping), demonstrating the semiconductor nature of these HOFs with record experimental conductivities of 6.07 × 10-7 (MUV-20a) and 1.35 × 10-6 S cm-1 (MUV-20b).
dc.language.iso	eng
dc.relation.ispartof	Journal of the American Chemical Society, 2022, vol. 144, num. 20, p. 9074-9082
dc.subject	Cristalls
dc.subject	Conductivitat elèctrica
dc.title	Semiconductor Porous Hydrogen-Bonded Organic Frameworks Based on Tetrathiafulvalene Derivatives
dc.type	journal article	es_ES
dc.date.updated	2022-07-15T13:15:41Z
dc.identifier.doi	10.1021/jacs.2c01957
dc.identifier.idgrec	154351
dc.rights.accessRights	open access	es_ES