Probing locations of organic structure-directing agents (OSDAs) and host-guest interactions in CHA-type SAPO-34/44

Nana Yan; Hongyi Xu; Wenna Zhang; Tantan Sun; Peng Guo; Peng Tian; Zhongmin Liu

doi:10.1016/j.micromeso.2018.01.002

Probing locations of organic structure-directing agents (OSDAs) and host-guest interactions in CHA-type SAPO-34/44

Nana Yan, Hongyi Xu, Wenna Zhang, Tantan Sun, Peng Guo^*, Peng Tian, Zhongmin Liu

^*Corresponding author for this work

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

18 Citations (Scopus)

Abstract

In this work, we have synthesized four SAPO-34/44 (framework type code: CHA) samples by utilizing different organic structure-directing agent (OSDA) such as cyclohexylamine (CA), n-butylamine (BA), diisopropylamine (DIPA), and dipropylamine (DPA). An approach combining Rietveld refinement and simulated annealing has been successfully applied to determine the location of the individual OSDA and the host (inorganic framework)-guest (OSDA) interaction. The final Rietveld refinements show that 1) one cha cage can be occupied by either two OSDAs (CA and BA) in the up-and-down arrangement or one OSDA (DIPA and DPA) in the longitudinal configuration and 2) the classical hydrogen bond between CA/BA and the inorganic framework in SAPO-44-CA and SAPO-34-BA could be identified. The host-guest interactions among these four samples are also investigated by FT-IR, which are consistent with Rietveld refinement results. The approach employed here could be applicable for the host-guest investigation in other crystalline porous materials.

Original language	English
Pages (from-to)	55-59
Number of pages	5
Journal	Microporous and Mesoporous Materials
Volume	264
DOIs	https://doi.org/10.1016/j.micromeso.2018.01.002
Publication status	Published - 1 Jul 2018
Externally published	Yes

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10.1016/j.micromeso.2018.01.002

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title = "Probing locations of organic structure-directing agents (OSDAs) and host-guest interactions in CHA-type SAPO-34/44",

abstract = "In this work, we have synthesized four SAPO-34/44 (framework type code: CHA) samples by utilizing different organic structure-directing agent (OSDA) such as cyclohexylamine (CA), n-butylamine (BA), diisopropylamine (DIPA), and dipropylamine (DPA). An approach combining Rietveld refinement and simulated annealing has been successfully applied to determine the location of the individual OSDA and the host (inorganic framework)-guest (OSDA) interaction. The final Rietveld refinements show that 1) one cha cage can be occupied by either two OSDAs (CA and BA) in the up-and-down arrangement or one OSDA (DIPA and DPA) in the longitudinal configuration and 2) the classical hydrogen bond between CA/BA and the inorganic framework in SAPO-44-CA and SAPO-34-BA could be identified. The host-guest interactions among these four samples are also investigated by FT-IR, which are consistent with Rietveld refinement results. The approach employed here could be applicable for the host-guest investigation in other crystalline porous materials.",

keywords = "Different OSDAs, Host-guest interaction, Rietveld refinement, SAPO-34, Simulated annealing",

author = "Nana Yan and Hongyi Xu and Wenna Zhang and Tantan Sun and Peng Guo and Peng Tian and Zhongmin Liu",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier Inc.",

year = "2018",

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day = "1",

doi = "10.1016/j.micromeso.2018.01.002",

language = "English",

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T1 - Probing locations of organic structure-directing agents (OSDAs) and host-guest interactions in CHA-type SAPO-34/44

AU - Yan, Nana

AU - Xu, Hongyi

AU - Zhang, Wenna

AU - Sun, Tantan

AU - Guo, Peng

AU - Tian, Peng

AU - Liu, Zhongmin

PY - 2018/7/1

Y1 - 2018/7/1

N2 - In this work, we have synthesized four SAPO-34/44 (framework type code: CHA) samples by utilizing different organic structure-directing agent (OSDA) such as cyclohexylamine (CA), n-butylamine (BA), diisopropylamine (DIPA), and dipropylamine (DPA). An approach combining Rietveld refinement and simulated annealing has been successfully applied to determine the location of the individual OSDA and the host (inorganic framework)-guest (OSDA) interaction. The final Rietveld refinements show that 1) one cha cage can be occupied by either two OSDAs (CA and BA) in the up-and-down arrangement or one OSDA (DIPA and DPA) in the longitudinal configuration and 2) the classical hydrogen bond between CA/BA and the inorganic framework in SAPO-44-CA and SAPO-34-BA could be identified. The host-guest interactions among these four samples are also investigated by FT-IR, which are consistent with Rietveld refinement results. The approach employed here could be applicable for the host-guest investigation in other crystalline porous materials.

AB - In this work, we have synthesized four SAPO-34/44 (framework type code: CHA) samples by utilizing different organic structure-directing agent (OSDA) such as cyclohexylamine (CA), n-butylamine (BA), diisopropylamine (DIPA), and dipropylamine (DPA). An approach combining Rietveld refinement and simulated annealing has been successfully applied to determine the location of the individual OSDA and the host (inorganic framework)-guest (OSDA) interaction. The final Rietveld refinements show that 1) one cha cage can be occupied by either two OSDAs (CA and BA) in the up-and-down arrangement or one OSDA (DIPA and DPA) in the longitudinal configuration and 2) the classical hydrogen bond between CA/BA and the inorganic framework in SAPO-44-CA and SAPO-34-BA could be identified. The host-guest interactions among these four samples are also investigated by FT-IR, which are consistent with Rietveld refinement results. The approach employed here could be applicable for the host-guest investigation in other crystalline porous materials.

KW - Different OSDAs

KW - Host-guest interaction

KW - Rietveld refinement

KW - SAPO-34

KW - Simulated annealing

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DO - 10.1016/j.micromeso.2018.01.002

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SN - 1387-1811

VL - 264

SP - 55

EP - 59

JO - Microporous and Mesoporous Materials

JF - Microporous and Mesoporous Materials

ER -

Probing locations of organic structure-directing agents (OSDAs) and host-guest interactions in CHA-type SAPO-34/44

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