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Journal Article

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


Schnell,  Melanie
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Schnell, M., & Grabow, J.-U. (2006). Internal dynamics in organometallic molecules: Rotational spectrum of (CH₃)₃GeCl. Physical Chemistry Chemical Physics, 8(19), 2225-2231. doi:10.1039/b600682e.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-0696-5
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 .