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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

Keywords

bonding character, germanium, internal rotation, microwave spectroscopy, multidimensional, permutation-inversion group theory, rotational transitions, tunneling

Citation

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 February 28, 2024)
Created October 16, 2008