Zuschrift

Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First-Principles Study†

  1. Vanessa K. Peterson Dr.1,
  2. Gordon J. Kearley Prof.1,
  3. Yue Wu2,
  4. Anibal Javier Ramirez-Cuesta Dr.4,
  5. Ewout Kemner Dr.3,
  6. Cameron J. Kepert Prof.2

Article first published online: 8 DEC 2009

DOI: 10.1002/ange.200903366

Issue

Angewandte Chemie

Angewandte Chemie

Volume 122, Issue 3, pages 595–598, January 12, 2010

Additional Information

How to Cite

Peterson, Vanessa K., Kearley, Gordon J., Wu, Y., Ramirez-Cuesta, A., Kemner, E. and Kepert, Cameron J. (2010), Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First-Principles Study. Angew. Chem., 122: 595–598. doi: 10.1002/ange.200903366

Author Information

  1. 1

    The Bragg Institute, Australian Nuclear Science and Technology Organisation, PMB1 Menai, NSW (Australia), Fax: (+61) 29717-3606

  2. 2

    School of Chemistry, The University of Sydney (Australia)

  3. 3

    Berlin Neutron Scattering Center, Helmholtz-Zentrum Berlin für Materialien und Energie, 14109 Berlin (Germany)

  4. 4

    ISIS, Rutherford Appleton Laboratory, Oxfordshire (UK)

  1. †

    This work was supported by an Australian Research Council Discovery Project Grant (C.J.K.), an Australian PhD Award, and Post-Graduate Research Awards (Y.W.) from the Australian Government and the Australian Institute of Nuclear Science and Engineering. ISIS facilities were accessed under the Major National Research Facilities Program.

Publication History

  1. Issue published online: 7 JAN 2010
  2. Article first published online: 8 DEC 2009
  3. Manuscript Revised: 17 AUG 2009
  4. Manuscript Received: 22 JUN 2009

Funded by

  • Australian Research Council Discovery Project Grant
  • Australian Government
  • Australian Institute of Nuclear Science and Engineering

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Keywords:

  • Koordinationspolymere;
  • Metall-organische Gerüste;
  • Mikroporöse Materialien;
  • Neutronenbeugung;
  • Thermische Expansion
Thumbnail image of graphical abstract

Lokale Ursache: Die dynamische Verformung der Dikupfertetracarboxylat-Schaufelradeinheit in einem Metall-organischen Gerüst von einer quadratisch-prismatischen (links) zu einer verzerrten Geometrie (rechts) findet bei sehr niedrigen Energien statt. Die Verformung, die stark zur negativen themischen Expansion des Systems beiträgt, ist eine lokale Schwingung, die durch eine Umverteilung der Elektronendichte in den Cu-O-Bindungen ausgelöst wird.

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