Germanium dicarbide: Evidence for a T−shaped ground state structure
Zingsheim, Oliver
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https://hdl.handle.net/2142/96959
Description
Title
Germanium dicarbide: Evidence for a T−shaped ground state structure
Author(s)
Zingsheim, Oliver
Contributor(s)
McCarthy, Michael C.
Gauss, Jürgen
Gottlieb, Carl A.
Schlemmer, Stephan
Thorwirth, Sven
Martin-Drumel, Marie-Aline
Issue Date
2017-06-20
Keyword(s)
Structure determination
Abstract
The preferred equilibrium structure of germanium dicarbide (GeC$_2$) has been an open question for decades: while high-level quantum chemical calculations predict an L-shaped ground state structure, the very flat potential energy surface of the species prevents a T-shaped structure from being entirely ruled out$^1$. By recording for the first time the rotational spectrum of GeC$_2$ using sensitive microwave and millimeter techniques, we establish that the molecule adopts a vibrationally-averaged T-shaped structure in the ground state. From isotopic substitution of 14 isotopologues, a precise $r_0$ structure has been derived. This structural work should serve as an important benchmark for future calculations._x000d_
_x000d_
$^1$ Sari et al., textit{J. Chem. Phys.} textbf{117} 10008 (2002)
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