Issue 19, 2006

Internal dynamics in organometallic molecules: Rotational spectrum of (CH3)3GeCl

Abstract

The microwave spectra of (CH3)374Ge35Cl and its isotopologues (CH3)372Ge35Cl and (CH3)374Ge37Cl have 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–Cl bonding character which is estimated to be dominated by covalent contributions (46.5%) together with 37.6% ionic and 15.9% π-bonding character. From isotopic substitution the Ge–Cl bond distance could be determined as 2.15198(97) Å.

Graphical abstract: Internal dynamics in organometallic molecules: Rotational spectrum of (CH3)3GeCl

Supplementary files

Article information

Article type
Paper
Submitted
18 Jan 2006
Accepted
15 Feb 2006
First published
02 Mar 2006

Phys. Chem. Chem. Phys., 2006,8, 2225-2231

Internal dynamics in organometallic molecules: Rotational spectrum of (CH3)3GeCl

M. Schnell and J. Grabow, Phys. Chem. Chem. Phys., 2006, 8, 2225 DOI: 10.1039/B600682E

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