Guest–host complexes of TCNQ and TCNE with Cu3(1,3,5-benzenetricarboxylate)2

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dc.contributor.authorUsov, PMen_AU
dc.contributor.authorJiang, Hen_AU
dc.contributor.authorChevreau, Hen_AU
dc.contributor.authorPeterson, VKen_AU
dc.contributor.authorLeong, CFen_AU
dc.contributor.authorD'Alessandro, DMen_AU
dc.date.accessioned2021-08-25T02:57:58Zen_AU
dc.date.available2021-08-25T02:57:58Zen_AU
dc.date.issued2017-11-02en_AU
dc.date.statistics2021-08-24en_AU
dc.description.abstractA combined spectroscopic and structural study was undertaken to investigate the nature of the incorporation of the electron acceptor guest 7,7,8,8-tetracyanoquinodimethane (TCNQ) and the closely related guest tetracyanoethylene (TCNE) into the host porous framework [Cu3(BTC)2] (BTC = 1,3,5-benzenetricarboxylate)—a guest–host system recently shown to be highly conductive. We find that the guest concentration in the system can be modulated via the synthesis reaction time and temperature. A suite of spectroscopic, X-ray and neutron powder diffraction, and density functional theory techniques revealed the mechanism of guest binding within the framework host, including the guest redox states. This work provides insights into the way that electrical conductivity arises in porous framework host–guest systems and contributes to understanding how fine-tuning framework properties influences conductivity. © 2017 American Chemical Societyen_AU
dc.identifier.citationUsov, P. M., Jiang, H., Chevreau, H., Peterson, V. K., Leong, C. F., & D’Alessandro, D. M. (2017). Guest–host complexes of TCNQ and TCNE with Cu3 (1, 3, 5-benzenetricarboxylate) 2. The Journal of Physical Chemistry C, 121(47), 26330-26339. doi:10.1021/acs.jpcc.7b07807en_AU
dc.identifier.issn1932-7455en_AU
dc.identifier.issue47en_AU
dc.identifier.journaltitleThe Journal of Physical Chemistry Cen_AU
dc.identifier.pagination26330-26339en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.7b07807en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11490en_AU
dc.identifier.volume121en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectElectronsen_AU
dc.subjectMoleculesen_AU
dc.subjectNitrogen compoundsen_AU
dc.subjectEnergyen_AU
dc.subjectRedox reactionsen_AU
dc.subjectCharge transporten_AU
dc.titleGuest–host complexes of TCNQ and TCNE with Cu3(1,3,5-benzenetricarboxylate)2en_AU
dc.typeJournal Articleen_AU
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