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

Oliver ZingsheimMarie-Aline Martin-DrumelSven ThorwirthStephan SchlemmerCarl A GottliebJürgen GaussMichael C McCarthy
Published in: The journal of physical chemistry letters (2017)
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)°.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high resolution
  • risk assessment
  • mass spectrometry
  • climate change
  • quantum dots
  • human health
  • energy transfer