Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy

Authors

  • Prof. Juan Casado,

    Corresponding author
    1. Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)
    • Juan Casado, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Juan T. López Navarrete, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Peter W. Stephens, Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)

      Joel S. Miller, Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)

      Juan J. Novoa, Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)

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  • Paula Mayorga Burrezo,

    1. Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)
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  • Prof. Francisco J. Ramírez,

    1. Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)
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  • Prof. Juan T. López Navarrete,

    Corresponding author
    1. Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)
    • Juan Casado, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Juan T. López Navarrete, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Peter W. Stephens, Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)

      Joel S. Miller, Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)

      Juan J. Novoa, Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)

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  • Dr. Saul H. Lapidus,

    1. Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)
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  • Prof. Peter W. Stephens,

    Corresponding author
    1. Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)
    • Juan Casado, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Juan T. López Navarrete, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Peter W. Stephens, Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)

      Joel S. Miller, Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)

      Juan J. Novoa, Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)

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  • Hoa-Lan Vo,

    1. Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)
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  • Prof. Joel S. Miller,

    Corresponding author
    1. Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)
    • Juan Casado, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Juan T. López Navarrete, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Peter W. Stephens, Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)

      Joel S. Miller, Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)

      Juan J. Novoa, Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)

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  • Prof. Fernando Mota,

    1. Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)
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  • Prof. Juan J. Novoa

    Corresponding author
    1. Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)
    • Juan Casado, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Juan T. López Navarrete, Departamento de Química Física, Universidad de Málaga, 29071 Málaga (Spain)

      Peter W. Stephens, Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (USA)

      Joel S. Miller, Department of Chemsitry, University of Utah, Salt Lake City, UT 84112-0850 (USA)

      Juan J. Novoa, Departamento de Química Física & IQTCUB, Facultad de Química, Universidad de Barcelona, Av. Diagonal, 647, 08028 Barcelona (Spain)

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  • The Malaga team thanks the MINECO for funding (project numbers CTQ201233733 and P06FQM-4708). J.S.M and H.-L.V. appreciate the continued support by the U. S. Department of Energy Division of Material Science (grant number DE-FG03-93ER45504) for chemical synthesis, spectroscopic and magnetic studies. F.M. and J.J.N. thank the MINECO for funding (grant number MAT2011-25972), and the Catalan Autonomous Government (grant number 2009 SGR 1203). They also thank for the allocation of computer time done by CESCA and BSC. Use of the National Synchrotron Light Source, Brookhaven National Laboratory for powder diffraction studies (S.H.L. and P.W.S) was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract number DE-AC02-98CH10886.

Abstract

original image

Long C[BOND]C bonds: Analysis of the 1064 nm Raman vibrational spectrum of K2[TCNE]2 possessing isolated π-[TCNE]22− (TCNE=tetracyanoethylene) dimers shows several low-energy symmetric intradimer breathing modes at 198, 173, 155, 131, 107, and 85 cm−1. These data confirm the presence of a long two-electron/four-center C[BOND]C bond (see picture).

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