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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
Subject(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)
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/96959
DOI:10.15278/isms.2017.TC08
Date Available in IDEALS:2017-07-27


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