Multidimensional large-amplitude motion: Revealing concurrent tunneling pathways in molecules with several internal rotors

Research output: Contribution to journalArticleResearchpeer review

Authors

  • Melanie Schnell
  • Jens Uwe Grabow

External Research Organisations

  • Fritz Haber Institute of the Max Planck Society (FHI)
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Details

Original languageEnglish
Pages (from-to)3465-3470
Number of pages6
JournalAngewandte Chemie - International Edition
Volume45
Issue number21
Publication statusPublished - 19 May 2006

Abstract

Light at the end of the tunnel: Knowledge of the feasible tunneling pathways of a molecule can shed light on the interaction mechanisms that govern its internal dynamics. A combination of rotational spectroscopy, permutation inversion group theory, and multidimensional tunneling formalism has shown that in the series (CH3)3XCI (X = Si, Ge, Sn), electrostatic repulsion is gradually reduced and the chemical bond gains importance. (Figure Presented).

Keywords

    Microwave spectroscopy, Molecular dynamics, Nuclear quadrupole coupling, Theoretical chemistry

ASJC Scopus subject areas

Cite this

Multidimensional large-amplitude motion: Revealing concurrent tunneling pathways in molecules with several internal rotors. / Schnell, Melanie; Grabow, Jens Uwe.
In: Angewandte Chemie - International Edition, Vol. 45, No. 21, 19.05.2006, p. 3465-3470.

Research output: Contribution to journalArticleResearchpeer review

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