Internal dynamics in organometallic molecules

Rotational spectrum of (CH₃)₃GeCl

authored by

Melanie Schnell, Jens Uwe Grabow

Abstract

The microwave spectra of (CH₃)₃⁷⁴Ge ³⁵Cl and its isotopologues (CH₃)₃ ⁷²Ge³⁵Cl and (CH₃)₃ ⁷⁴Ge³⁷Cl 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.

Organisation(s)

Institute of Physical Chemistry and Electrochemistry

External Organisation(s)

National Institute of Standards and Technology (NIST)
Fritz Haber Institute of the Max Planck Society (FHI)

Type

Article

Journal

Physical Chemistry Chemical Physics

Volume

8

Pages

2225-2231

No. of pages

7

ISSN

1463-9076

Publication date

02.03.2006

Publication status

Published

Peer reviewed

Yes

ASJC Scopus subject areas

Physics and Astronomy(all), Physical and Theoretical Chemistry

Electronic version(s)

https://doi.org/10.1039/b600682e (Access: Closed)