GERMANIUM DICARBIDE: EVIDENCE FOR A T−SHAPED GROUND STATE STRUCTURE

Zingsheim, Oliver

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https://hdl.handle.net/2142/96959 Copy

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

6/20/2017

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)

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/96959

DOI

10.15278/isms.2017.TC08

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