Chabazite structures with Li+, Na+, Ag+, K+, NH4+, Rb+ and Cs+ as extra-framework cations

Mihye Kong; Zhenxian Liu; Thomas Vogt; Yongjae Lee

doi:10.1016/j.micromeso.2015.09.031

Chabazite structures with Li⁺, Na⁺, Ag⁺, K⁺, NH₄⁺, Rb⁺ and Cs⁺ as extra-framework cations

Mihye Kong, Zhenxian Liu, Thomas Vogt, Yongjae Lee

Institute of Earth·Atmosphere·Astronomy(BK21+)

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

10 Citations (Scopus)

Abstract

Chabazites with Li⁺, Na⁺, Ag⁺, K⁺, NH₄⁺, Rb⁺, Cs⁺ as monovalent extra-framework cations have been prepared from natural chabazite (ORI-CHA, Ca_1.6Na_0.5Si_8.4Al_3.6O₂₄·14.3H₂O) and characterized using a combination of Rietveld analyses of high-resolution synchrotron X-ray powder diffraction data and synchrotron infrared (IR) spectroscopy. All monovalent cation-exchanged chabazites crystallize in the rhombohedral space group R3¯m; Li-CHA (Li_2.9Si_8.6Al_3.4O₂₄·13.2H₂O), a = 9.4068(6), α = 94.9156(9); Na-CHA (Na_3.4Si_8.6Al_3.4O₂₄·11.4H₂O), a = 9.4216(3), α = 94.0773(6); Ag-CHA (Ag_3.5Si_8.5Al_3.5O₂₄·15.9H₂O), a = 9.4402(4), α = 94.1354(9); K-CHA (K_3.2Si_8.7Al_3.3O₂₄·10.7H₂O), a = 9.4420(1), α = 94.2540(3); NH₄-CHA ((NH₄)_2.1Si_8.4Al_3.6O₂₄·11.6H₂O), a = 9.4378(9), α = 94.6101(1); Rb-CHA (Rb_4.1Si_7.9Al_4.1O₂₄·6.5H₂O), a = 9.4318(4), α = 94.533(1); Cs-CHA (Cs_3.4Si_8.6Al_3.4O₂₄·6.4H₂O), a = 9.4447(4), α = 94.2604(8). We establish correlations between the unit-cell volume, extra-framework cation distribution, and cation selectivity in chabazites. We establish that the unit cell volume of monovalent-cation exchanged chabazites decreases in the order of decreasing ion selectivity, based on the standard free hydration energies of exchange i.e., Cs⁺ > K⁺ > Ag⁺ > Rb⁺ > Na⁺ > Li⁺ and not the cation size.

Original language	English
Pages (from-to)	253-263
Number of pages	11
Journal	Microporous and Mesoporous Materials
Volume	221
DOIs	https://doi.org/10.1016/j.micromeso.2015.09.031
Publication status	Published - 2016 Feb 1

Bibliographical note

Funding Information:
This work was supported by the Global Research Laboratory Program of the Korean Ministry of Science, ICT and Planning (MSIP) . Experiments using X-ray synchrotron radiation were supported by Pohang Accelerator Laboratory (PAL) at POSTECH in Korea . The use of the U2A beamline was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR11-57758 and the DOE-NNSA ( DE-FC03-03N00144 , CDAC). T.V. would like to thank the Australian Nuclear Science and Technology Organization for support during a research visit early 2015.

All Science Journal Classification (ASJC) codes

Chemistry(all)
Materials Science(all)
Condensed Matter Physics
Mechanics of Materials

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@article{2cc1709ce2b74c58bab61829b204dda4,

title = "Chabazite structures with Li+, Na+, Ag+, K+, NH4+, Rb+ and Cs+ as extra-framework cations",

abstract = "Chabazites with Li+, Na+, Ag+, K+, NH4+, Rb+, Cs+ as monovalent extra-framework cations have been prepared from natural chabazite (ORI-CHA, Ca1.6Na0.5Si8.4Al3.6O24·14.3H2O) and characterized using a combination of Rietveld analyses of high-resolution synchrotron X-ray powder diffraction data and synchrotron infrared (IR) spectroscopy. All monovalent cation-exchanged chabazites crystallize in the rhombohedral space group R3¯m; Li-CHA (Li2.9Si8.6Al3.4O24·13.2H2O), a = 9.4068(6), α = 94.9156(9); Na-CHA (Na3.4Si8.6Al3.4O24·11.4H2O), a = 9.4216(3), α = 94.0773(6); Ag-CHA (Ag3.5Si8.5Al3.5O24·15.9H2O), a = 9.4402(4), α = 94.1354(9); K-CHA (K3.2Si8.7Al3.3O24·10.7H2O), a = 9.4420(1), α = 94.2540(3); NH4-CHA ((NH4)2.1Si8.4Al3.6O24·11.6H2O), a = 9.4378(9), α = 94.6101(1); Rb-CHA (Rb4.1Si7.9Al4.1O24·6.5H2O), a = 9.4318(4), α = 94.533(1); Cs-CHA (Cs3.4Si8.6Al3.4O24·6.4H2O), a = 9.4447(4), α = 94.2604(8). We establish correlations between the unit-cell volume, extra-framework cation distribution, and cation selectivity in chabazites. We establish that the unit cell volume of monovalent-cation exchanged chabazites decreases in the order of decreasing ion selectivity, based on the standard free hydration energies of exchange i.e., Cs+ > K+ > Ag+ > Rb+ > Na+ > Li+ and not the cation size.",

author = "Mihye Kong and Zhenxian Liu and Thomas Vogt and Yongjae Lee",

note = "Funding Information: This work was supported by the Global Research Laboratory Program of the Korean Ministry of Science, ICT and Planning (MSIP) . Experiments using X-ray synchrotron radiation were supported by Pohang Accelerator Laboratory (PAL) at POSTECH in Korea . The use of the U2A beamline was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR11-57758 and the DOE-NNSA ( DE-FC03-03N00144 , CDAC). T.V. would like to thank the Australian Nuclear Science and Technology Organization for support during a research visit early 2015. ",

year = "2016",

month = feb,

day = "1",

doi = "10.1016/j.micromeso.2015.09.031",

language = "English",

volume = "221",

pages = "253--263",

journal = "Microporous and Mesoporous Materials",

issn = "1387-1811",

publisher = "Elsevier",

}

TY - JOUR

T1 - Chabazite structures with Li+, Na+, Ag+, K+, NH4+, Rb+ and Cs+ as extra-framework cations

AU - Kong, Mihye

AU - Liu, Zhenxian

AU - Vogt, Thomas

AU - Lee, Yongjae

N1 - Funding Information: This work was supported by the Global Research Laboratory Program of the Korean Ministry of Science, ICT and Planning (MSIP) . Experiments using X-ray synchrotron radiation were supported by Pohang Accelerator Laboratory (PAL) at POSTECH in Korea . The use of the U2A beamline was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR11-57758 and the DOE-NNSA ( DE-FC03-03N00144 , CDAC). T.V. would like to thank the Australian Nuclear Science and Technology Organization for support during a research visit early 2015.

PY - 2016/2/1

Y1 - 2016/2/1

N2 - Chabazites with Li+, Na+, Ag+, K+, NH4+, Rb+, Cs+ as monovalent extra-framework cations have been prepared from natural chabazite (ORI-CHA, Ca1.6Na0.5Si8.4Al3.6O24·14.3H2O) and characterized using a combination of Rietveld analyses of high-resolution synchrotron X-ray powder diffraction data and synchrotron infrared (IR) spectroscopy. All monovalent cation-exchanged chabazites crystallize in the rhombohedral space group R3¯m; Li-CHA (Li2.9Si8.6Al3.4O24·13.2H2O), a = 9.4068(6), α = 94.9156(9); Na-CHA (Na3.4Si8.6Al3.4O24·11.4H2O), a = 9.4216(3), α = 94.0773(6); Ag-CHA (Ag3.5Si8.5Al3.5O24·15.9H2O), a = 9.4402(4), α = 94.1354(9); K-CHA (K3.2Si8.7Al3.3O24·10.7H2O), a = 9.4420(1), α = 94.2540(3); NH4-CHA ((NH4)2.1Si8.4Al3.6O24·11.6H2O), a = 9.4378(9), α = 94.6101(1); Rb-CHA (Rb4.1Si7.9Al4.1O24·6.5H2O), a = 9.4318(4), α = 94.533(1); Cs-CHA (Cs3.4Si8.6Al3.4O24·6.4H2O), a = 9.4447(4), α = 94.2604(8). We establish correlations between the unit-cell volume, extra-framework cation distribution, and cation selectivity in chabazites. We establish that the unit cell volume of monovalent-cation exchanged chabazites decreases in the order of decreasing ion selectivity, based on the standard free hydration energies of exchange i.e., Cs+ > K+ > Ag+ > Rb+ > Na+ > Li+ and not the cation size.

AB - Chabazites with Li+, Na+, Ag+, K+, NH4+, Rb+, Cs+ as monovalent extra-framework cations have been prepared from natural chabazite (ORI-CHA, Ca1.6Na0.5Si8.4Al3.6O24·14.3H2O) and characterized using a combination of Rietveld analyses of high-resolution synchrotron X-ray powder diffraction data and synchrotron infrared (IR) spectroscopy. All monovalent cation-exchanged chabazites crystallize in the rhombohedral space group R3¯m; Li-CHA (Li2.9Si8.6Al3.4O24·13.2H2O), a = 9.4068(6), α = 94.9156(9); Na-CHA (Na3.4Si8.6Al3.4O24·11.4H2O), a = 9.4216(3), α = 94.0773(6); Ag-CHA (Ag3.5Si8.5Al3.5O24·15.9H2O), a = 9.4402(4), α = 94.1354(9); K-CHA (K3.2Si8.7Al3.3O24·10.7H2O), a = 9.4420(1), α = 94.2540(3); NH4-CHA ((NH4)2.1Si8.4Al3.6O24·11.6H2O), a = 9.4378(9), α = 94.6101(1); Rb-CHA (Rb4.1Si7.9Al4.1O24·6.5H2O), a = 9.4318(4), α = 94.533(1); Cs-CHA (Cs3.4Si8.6Al3.4O24·6.4H2O), a = 9.4447(4), α = 94.2604(8). We establish correlations between the unit-cell volume, extra-framework cation distribution, and cation selectivity in chabazites. We establish that the unit cell volume of monovalent-cation exchanged chabazites decreases in the order of decreasing ion selectivity, based on the standard free hydration energies of exchange i.e., Cs+ > K+ > Ag+ > Rb+ > Na+ > Li+ and not the cation size.

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U2 - 10.1016/j.micromeso.2015.09.031

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JO - Microporous and Mesoporous Materials

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