Communication

Competition and Cooperativity in Carbon Dioxide Sorption by Amine-Functionalized Metal–Organic Frameworks†

  1. Dr. Ramanathan Vaidhyanathan1,
  2. Dr. Simon S. Iremonger1,
  3. Prof. George K. H. Shimizu1,*,
  4. Peter G. Boyd2,
  5. Dr. Saman Alavi2,
  6. Prof. Tom K. Woo2,*

Article first published online: 23 DEC 2011

DOI: 10.1002/anie.201105109

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 51, Issue 8, pages 1826–1829, February 20, 2012

Additional Information

How to Cite

Vaidhyanathan, R., Iremonger, S. S., Shimizu, G. K. H., Boyd, P. G., Alavi, S. and Woo, T. K. (2012), Competition and Cooperativity in Carbon Dioxide Sorption by Amine-Functionalized Metal–Organic Frameworks. Angew. Chem. Int. Ed., 51: 1826–1829. doi: 10.1002/anie.201105109

Author Information

  1. 1

    Department of Chemistry, University of Calgary, Calgary T2N 1N4 (Canada)

  2. 2

    Centre for Catalysis Research and Innovation, Department of Chemistry, University of Ottawa, Ottawa, K1N 6N5 (Canada)

*Department of Chemistry, University of Calgary, Calgary T2N 1N4 (Canada)

  1. †

    The authors thank the Natural Sciences and Engineering Research Council of Canada, the Canada School for Energy and Environment, and the Canada Research Chairs Program for financial support.

Publication History

  1. Issue published online: 14 FEB 2012
  2. Article first published online: 23 DEC 2011
  3. Manuscript Received: 21 JUL 2011

Funded by

  • Natural Sciences and Engineering Research Council of Canada
  • Canada School for Energy and Environment
  • Canada Research Chairs Program

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Keywords:

  • adsorption simulation;
  • amines;
  • carbon dioxide;
  • metal–organic frameworks
Thumbnail image of graphical abstract

Molecular insights into the roles of amine functionalization and cooperative CO2 interactions into enhancing (and diminishing) CO2 binding by metal-organic frameworks are shown both experimentally and computationally. Contrary to popular thinking, higher amination decreases CO2 binding in this system. This loss is compensated by cooperativity between CO2 triads that enhances binding by over 7 kJ mol−1.

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