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Instruments / Technical Area	Publication Details	Published	Actions
I11-High Resolution Powder Diffraction	Iodine adsorption in a redox-active metal–organic framework: electrical conductivity induced by host−guest charge-transfer Xinran Zhang , Ivan Da Silva , Rodrigo Fazzi , Alena M. Sheveleva , Xue Han , Ben F. Spencer , Sergey A. Sapchenko , Floriana Tuna , Eric J. L. Mcinnes , Ming Li , Sihai Yang , Martin Schroder Inorganic Chemistry DOI: 10.1021/acs.inorgchem.9b02176 Diamond Proposal Number(s): [21079] Show Abstract ▼ Abstract: We report a comparative study of the binding of I2 (iodine) in a pair of redox-active metal–organic framework (MOF) materials, MFM-300(VIII) and its oxidized, deprotonated analogue, MFM-300(VIV). Adsorption of I2 in MFM-300(VIII) triggers a host-to-guest charge-transfer, accompanied by a partial (∼30%) oxidation of the VIII centers in the host framework and formation of I3– species residing in the MOF channels. Importantly, this charge-transfer induces a significant enhancement in the electrical conductivity (Δσ = 700000) of I2@MFM-300(VIII/IV) in comparison to MFM-300(VIII). In contrast, no host–guest charge-transfer or apparent change in the conductivity was observed upon adsorption of I2 in MFM-300(VIV). High-resolution synchrotron X-ray diffraction of I2@MFM-300(VIII/IV) confirms the first example of self-aggregation of adsorbed iodine species (I2 and I3–) into infinite helical chains within a MOF.	Sep 2019

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