CB7: Experimental and Theoretical Evidence against Hypercoordinate Planar Carbon

Authors

  • Lei-Ming Wang,

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99354, USA
    2. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, MS K8-88, P. O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Wei Huang Dr.,

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99354, USA
    2. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, MS K8-88, P. O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • Boris B. Averkiev,

    1. Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322, USA, Fax: (+1) 435-797-3390
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  • Alexander I. Boldyrev Prof. Dr.,

    1. Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322, USA, Fax: (+1) 435-797-3390
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  • Lai-Sheng Wang Prof. Dr.

    1. Department of Physics, Washington State University, 2710 University Drive, Richland, WA 99354, USA
    2. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, MS K8-88, P. O. Box 999, Richland, WA 99352, USA, Fax: (+1) 509-376-6066
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  • The experimental work done at Washington was supported by the U.S. NSF (DMR-0503383) and the John Simon Guggenheim Foundation and performed at the EMSL, a national scientific user facility sponsored by the U.S. DOE's Office of Biological and Environmental Research and located at PNNL, operated for DOE by Battelle. The theoretical work done at Utah was supported by the donors of The Petroleum Research Fund (43101-AC6), administered by the American Chemical Society and the U.S. NSF (CHE-404937).

Abstract

original image

Reifenwechsel: Der Ersatz eines B in B82− durch C soll zu einem molekularen CB7-Rad führen, das nun durch Laserverdampfung hergestellt wurde. Nach Ab-initio-Rechnungen hat CB7 eine äußerst stabile planare C2v-Struktur, in der C ein B in der Felge des B82−-Rads ersetzt (siehe Bild), während die D7h-Struktur mit einem heptakoordinierten C-Atom 63 kcal mol−1 energiereicher ist.

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