5 years ago

Germanium Dicarbide: Evidence for a T-Shaped Ground State Structure

Germanium Dicarbide: Evidence for a T-Shaped Ground State Structure
Michael C. McCarthy, Oliver Zingsheim, Jürgen Gauss, Carl A. Gottlieb, Stephan Schlemmer, Sven Thorwirth, Marie-Aline Martin-Drumel
The equilibrium structure of germanium dicarbide GeC2 has been an open question since the late 1950s. Although most high-level quantum calculations predict an L-shaped geometry, a T-shaped or even a linear geometry cannot be ruled out because of the very flat potential energy surface. By recording the rotational spectrum of this dicarbide using sensitive microwave and millimeter techniques, we unambiguously establish that GeC2 adopts a vibrationally averaged T-shaped structure in its ground state. From analysis of 14 isotopologues, a precise r0 structure has been derived, yielding a Ge–C bond length of 1.952(1) Å and an apex angle of 38.7(2)°.

Publisher URL: http://dx.doi.org/10.1021/acs.jpclett.7b01544

DOI: 10.1021/acs.jpclett.7b01544

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