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

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Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P. / Morris, Samuel A.; Wheatley, Paul S.; Polozij, Miroslav; Nachtigall, Petr; Eliasova, Pavla; Cejka, Jiri; Lucas, Timothy C. A.; Hriljac, Joseph; Pinar, Anna B.; Morris, Russell E.

In: Dalton Transactions, Vol. 45, No. 36, 28.09.2016, p. 14124-14130.

Research output: Contribution to journalArticle

Harvard

Morris, SA, Wheatley, PS, Polozij, M, Nachtigall, P, Eliasova, P, Cejka, J, Lucas, TCA, Hriljac, J, Pinar, AB & Morris, RE 2016, 'Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P', Dalton Transactions, vol. 45, no. 36, pp. 14124-14130. https://doi.org/10.1039/C6DT02612E

APA

Morris, S. A., Wheatley, P. S., Polozij, M., Nachtigall, P., Eliasova, P., Cejka, J., Lucas, T. C. A., Hriljac, J., Pinar, A. B., & Morris, R. E. (2016). Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P. Dalton Transactions, 45(36), 14124-14130. https://doi.org/10.1039/C6DT02612E

Vancouver

Morris SA, Wheatley PS, Polozij M, Nachtigall P, Eliasova P, Cejka J et al. Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P. Dalton Transactions. 2016 Sep 28;45(36):14124-14130. https://doi.org/10.1039/C6DT02612E

Author

Morris, Samuel A. ; Wheatley, Paul S. ; Polozij, Miroslav ; Nachtigall, Petr ; Eliasova, Pavla ; Cejka, Jiri ; Lucas, Timothy C. A. ; Hriljac, Joseph ; Pinar, Anna B. ; Morris, Russell E. / Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P. In: Dalton Transactions. 2016 ; Vol. 45, No. 36. pp. 14124-14130.

Bibtex

@article{8447c79e51b349589d6a19a52da7e0b9,
title = "Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P",
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 0.1M hydrochloric acid solution. Its structure is unsolveable 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.",
author = "Morris, {Samuel A.} and Wheatley, {Paul S.} and Miroslav Polozij and Petr Nachtigall and Pavla Eliasova and Jiri Cejka and Lucas, {Timothy C. A.} and Joseph Hriljac and Pinar, {Anna B.} and Morris, {Russell E.}",
year = "2016",
month = sep
day = "28",
doi = "10.1039/C6DT02612E",
language = "English",
volume = "45",
pages = "14124--14130",
journal = "Dalton Transactions",
issn = "1477-9234",
publisher = "Royal Society of Chemistry",
number = "36",

}

RIS

TY - JOUR

T1 - Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P

AU - Morris, Samuel A.

AU - Wheatley, Paul S.

AU - Polozij, Miroslav

AU - Nachtigall, Petr

AU - Eliasova, Pavla

AU - Cejka, Jiri

AU - Lucas, Timothy C. A.

AU - Hriljac, Joseph

AU - Pinar, Anna B.

AU - Morris, Russell E.

PY - 2016/9/28

Y1 - 2016/9/28

N2 - 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 0.1M hydrochloric acid solution. Its structure is unsolveable 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.

AB - 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 0.1M hydrochloric acid solution. Its structure is unsolveable 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.

U2 - 10.1039/C6DT02612E

DO - 10.1039/C6DT02612E

M3 - Article

VL - 45

SP - 14124

EP - 14130

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9234

IS - 36

ER -