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Structures of dehydrated microporous copper silicate CuSH-6Na, an in situ single crystal X-ray study

  • Xiqu Wang EMAIL logo and Allan J. Jacobson
Published/Copyright: October 16, 2014
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 230 Issue 5

Abstract

The dehydration behavior of the microporous copper silicate Na2(Cu2Si5O13)·3H2O conventionally denoted as CuSH-6Na was studied using single crystal X-ray data collected at temperatures –150, 25, 40, 50, 60, 70 and 120 °C. Reversible dehydration of CuSH-6Na starts at ambient temperatures under dry nitrogen flow and is complete at 70 °C. The water molecules initially present in both ordered and disordered sites were simultaneously driven out beginning at ambient temperature. The dehydration is accompanied by a negative thermal expansion of the crystal caused by a slight progressive narrowing of the channels along the direction perpendicular to the silicate layers. The fully dehydrated structure has framework copper metal sites with open coordination spheres directly exposed to the space inside the accessible channels.

Keywords: crystal structure; copper silicate; dehydration; microporous; zeolite-like
Corresponding author: Xiqu Wang, Department of Chemistry and Texas Center for Superconductivity, University of Houston, Houston, Texas 77204-5003, USA, E-mail:

Acknowledgments

We thank the Robert. A. Welch Foundation (Grant No. E-0024) for financial support.

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Received: 2014-7-7
Accepted: 2014-9-20
Published Online: 2014-10-16
Published in Print: 2015-5-1

©2015 by De Gruyter

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Preface
  4. Special Issue: Zeolites
  5. Original Articles
  6. The importance of T⋯T⋯T angles in the feasibility of zeolites
  7. On the relationship between unit cells and channel systems in high silica zeolites with the “butterfly” projection
  8. A DFT-D study of the interaction of methane, carbon monoxide, and nitrogen with cation-exchanged SAPO-34
  9. Structure and bonding of water molecules in zeolite hosts: Benchmarking plane-wave DFT against crystal structure data
  10. A microporous potassium vanadyl phosphate analogue of mahnertite: hydrothermal synthesis and crystal structure
  11. Crystal chemical models for the cancrinite-sodalite supergroup: the structure of a new 18-layer phase
  12. Synthesis and structure of new microporous Nd(III) silicates of the rhodesite group
  13. Structures of dehydrated microporous copper silicate CuSH-6Na, an in situ single crystal X-ray study
https://doi.org/10.1515/zkri-2014-1786
Keywords for this article
crystal structure; copper silicate; dehydration; microporous; zeolite-like

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Preface
  4. Special Issue: Zeolites
  5. Original Articles
  6. The importance of T⋯T⋯T angles in the feasibility of zeolites
  7. On the relationship between unit cells and channel systems in high silica zeolites with the “butterfly” projection
  8. A DFT-D study of the interaction of methane, carbon monoxide, and nitrogen with cation-exchanged SAPO-34
  9. Structure and bonding of water molecules in zeolite hosts: Benchmarking plane-wave DFT against crystal structure data
  10. A microporous potassium vanadyl phosphate analogue of mahnertite: hydrothermal synthesis and crystal structure
  11. Crystal chemical models for the cancrinite-sodalite supergroup: the structure of a new 18-layer phase
  12. Synthesis and structure of new microporous Nd(III) silicates of the rhodesite group
  13. Structures of dehydrated microporous copper silicate CuSH-6Na, an in situ single crystal X-ray study
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