Pressure-induced local lattice distortions in Co(dca)$_2$

ORAL

Abstract

We employed vibrational spectroscopy along with complementary lattice dynamics and spin density calculations to investigate local structure and magnetism through the series of pressure-induced transitions in Co(dca)$_2$. Analysis of several ligand bending modes reveals compression and distortion of molecular linkages and a major change in the crystal lattice through the 1 GPa transition, whereas a modified local structure (due to a change in molecular symmetry) but similar crystal lattice is anticipated above 3 GPa. We discuss our findings in terms of the competition between antiferromagnetic and ferromagnetic exchange interactions.

*We thank the NSF for support of this work.

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Authors

  • Jan Musfeldt

    • University of Tennessee
    • Department of Chemistry, University of Tennessee

  • Zhenxian Liu

    • Carnegie Institute of Washington
    • Carnegie Institution of Washington

  • A. Litvinchuk

    • University of Houston

  • T.V. Brinzari

    • University of Tennessee

  • G.L. Carr

    • Photon Sciences, Brookhaven National Laboratory
    • Brookhaven National Laboratory
    • National Synchrotron Light Source, Brookhaven National Laboratory

  • J.A. Schlueter

    • Argonne National Laboratory

  • Jamie Manson

    • Eastern Washington University
    • Department of Chemistry and Biochemistry, Eastern Washington University, Cheney, WA 99004 USA

  • M.-H. Whangbo

    • North Carolina State University
    • Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, U.S.A