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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
- Date of Ingest
- 2017-07-27T20:15:23Z
- 2018-01-29T23:02:53Z
- 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)
- Publisher
- International Symposium on Molecular Spectroscopy
- Type of Resource
- text
- Genre of Resource
- Conference Paper / Presentation
- Language
- eng
- Permalink
- http://hdl.handle.net/2142/96959
- DOI
- https://doi.org/10.15278/isms.2017.TC08
- Copyright and License Information
- Copyright 2017 Oliver Zingsheim
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