STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging

Alessandro Turrina; Raquel Garcia; Abigail E. Watts; Heather F. Greer; Jonathan Bradley; Wuzong Zhou; Paul A. Cox; Mervyn D. Shannon; Alvaro Mayoral; John Casci; Paul A. Wright

doi:10.1021/acs.chemmater.6b04892

STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging

Alessandro Turrina^*, Raquel Garcia, Abigail E. Watts, Heather F. Greer, Jonathan Bradley, Wuzong Zhou, Paul A. Cox, Mervyn D. Shannon, Alvaro Mayoral, John Casci, Paul A. Wright^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as co-templates. Its structure has been solved and confirmed using a multi-technique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) Å and c = 30.5833(4) Å in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. As well as d6r, can and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, ¹³C MAS NMR, computer modelling and Rietveld refinement.

Original language	English
Pages (from-to)	2180-2190
Number of pages	11
Journal	Chemistry of Materials
Volume	29
Issue number	5
Early online date	5 Feb 2017
DOIs	https://doi.org/10.1021/acs.chemmater.6b04892
Publication status	Published - 14 Mar 2017

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Wright_2017_CoM_STA-20_AAM
Copyright © 2017 American Chemical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://doi.org/10.1021/acs.chemmater.6b04892
Accepted author manuscript, 3.84 MB
SuppInfo_2017_CoM_STA-20
Copyright © 2017 American Chemical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://doi.org/10.1021/acs.chemmater.6b04892
Accepted author manuscript, 2.74 MB

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Turrina, A., Garcia, R., Watts, A. E., Greer, H. F., Bradley, J., Zhou, W., Cox, P. A., Shannon, M. D., Mayoral, A., Casci, J., & Wright, P. A. (2017). STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging. Chemistry of Materials, 29(5), 2180-2190. https://doi.org/10.1021/acs.chemmater.6b04892

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title = "STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging",

abstract = "A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as co-templates. Its structure has been solved and confirmed using a multi-technique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) {\AA} and c = 30.5833(4) {\AA} in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. As well as d6r, can and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, 13C MAS NMR, computer modelling and Rietveld refinement.",

author = "Alessandro Turrina and Raquel Garcia and Watts, \{Abigail E.\} and Greer, \{Heather F.\} and Jonathan Bradley and Wuzong Zhou and Cox, \{Paul A.\} and Shannon, \{Mervyn D.\} and Alvaro Mayoral and John Casci and Wright, \{Paul A.\}",

note = "This work has been supported by Johnson Matthey PLC, UK. AEW acknowledges funding from an EPSRC/Johnson Matthey Industrial CASE PhD award EP/N50936X/1. We acknowledge Diamond Light Source for time on beamline I11 under the funded Proposal EE11830-1. ",

year = "2017",

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doi = "10.1021/acs.chemmater.6b04892",

language = "English",

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AU - Turrina, Alessandro

AU - Garcia, Raquel

AU - Watts, Abigail E.

AU - Greer, Heather F.

AU - Bradley, Jonathan

AU - Zhou, Wuzong

AU - Cox, Paul A.

AU - Shannon, Mervyn D.

AU - Mayoral, Alvaro

AU - Casci, John

AU - Wright, Paul A.

N1 - This work has been supported by Johnson Matthey PLC, UK. AEW acknowledges funding from an EPSRC/Johnson Matthey Industrial CASE PhD award EP/N50936X/1. We acknowledge Diamond Light Source for time on beamline I11 under the funded Proposal EE11830-1.

PY - 2017/3/14

Y1 - 2017/3/14

N2 - A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as co-templates. Its structure has been solved and confirmed using a multi-technique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) Å and c = 30.5833(4) Å in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. As well as d6r, can and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, 13C MAS NMR, computer modelling and Rietveld refinement.

AB - A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as co-templates. Its structure has been solved and confirmed using a multi-technique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) Å and c = 30.5833(4) Å in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. As well as d6r, can and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, 13C MAS NMR, computer modelling and Rietveld refinement.

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DO - 10.1021/acs.chemmater.6b04892

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JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 5

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STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging

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Paul Wright

Design and Synthesis of Novel Zeotypes (thesis data)