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Issue 36, 2016
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Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P

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Abstract

The disordered intermediate of the ADORable zeolite UTL has been structurally confirmed using the pair distribution function (PDF) technique. The intermediate, IPC-1P, is a disordered layered compound formed by the hydrolysis of UTL in 0.1 M hydrochloric acid solution. Its structure is unsolvable by traditional X-ray diffraction techniques. The PDF technique was first benchmarked against high-quality synchrotron Rietveld refinements of IPC-2 (OKO) and IPC-4 (PCR) – two end products of IPC-1P condensation that share very similar structural features. An IPC-1P starting model derived from density functional theory was used for the PDF refinement, which yielded a final fit of Rw = 18% and a geometrically reasonable structure. This confirms the layers do stay intact throughout the ADOR process and shows PDF is a viable technique for layered zeolite structure determination.

Graphical abstract: Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P

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Publication details

The article was received on 30 Jun 2016, accepted on 05 Aug 2016 and first published on 10 Aug 2016


Article type: Paper
DOI: 10.1039/C6DT02612E
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Citation: Dalton Trans., 2016,45, 14124-14130
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    Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P

    S. A. Morris, P. S. Wheatley, M. Položij, P. Nachtigall, P. Eliášová, J. Čejka, T. C. Lucas, J. A. Hriljac, A. B. Pinar and R. E. Morris, Dalton Trans., 2016, 45, 14124
    DOI: 10.1039/C6DT02612E

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