Schnell, M.
and Grabow, J.
(2008),
Internal Dynamics in Organometallic Molecules: Rotational Spectrum of (Ch<sub>3</sub>)<sub>3</sub>GeC1, Journal of Molecular Spectroscopy
(Accessed May 16, 2024)
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Internal Dynamics in Organometallic Molecules: Rotational Spectrum of (Ch3)3GeC1
Published
Author(s)
Melanie Schnell, Jens-Uwe Grabow
Abstract
The microwave spectrum of (CH3)3GeC1 and its isotopologues (Ch3)372GeC1 and (CH3)3Ge37C1 has been studied in the frequency range from 3-24 GHz revealing the complex internal dynamics of this organometallic molecule with three internal rotors. The assignment of the complex spectrum has been facilitated by permutation-inversion theory and ab initio calculations. The V3 barrier to internal rotation is determined to be 372.359(47) cm-1. Furthermore, an analysis of the chlorine quadrupole coupling yields the description of the Ge-C1 bonding character which is estimated to be dominated by covalent contributions (46.5%) along with 37.6% ionic and 15.9% n-bonding character. From isotopic substitution the Ge-C1 bond distance could be determined to 2.15198(97) A.Citation
Journal of Molecular Spectroscopy
Pub Type
Journals
Keywords
bonding character, germanium, internal rotation, microwave spectroscopy, multidimensional, permutation-inversion group theory, rotational transitions, tunneling
Citation
Issues
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Created October 16, 2008