Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule

Wodraszka R, Manthe U (2015)
Journal of Physical Chemistry Letters 6(21): 4229-4232.

Journal Article | Published | English

No fulltext has been uploaded

Abstract
Protonated methane, CH5+, is the prototypical example of a fluxional molecular system. The almost unconstrained angular motion of its five hydrogen atoms results in dynamical phenomena not found in rigid or semirigid molecules. Here it is shown that standard concepts to describe rotational quantum states of molecules can not be applied to CH5+, or any other fluxional system of the type AB(n) or B-n with n > 4 due to fundamental symmetry reasons. Instead, the ro-vibrational states of CH5+ display a unique level scheme, which results from a complex entanglement of rotational and tunneling motions. A detailed analysis of the ro-vibrational quantum states of CH5+ based on full-dimensional quantum dynamics simulations is presented, and the effects of the Pauli principle are considered. The consequences for the interpretation of recent experimental results are highlighted.
Publishing Year
ISSN
PUB-ID

Cite this

Wodraszka R, Manthe U. Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule. Journal of Physical Chemistry Letters. 2015;6(21):4229-4232.
Wodraszka, R., & Manthe, U. (2015). Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule. Journal of Physical Chemistry Letters, 6(21), 4229-4232.
Wodraszka, R., and Manthe, U. (2015). Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule. Journal of Physical Chemistry Letters 6, 4229-4232.
Wodraszka, R., & Manthe, U., 2015. Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule. Journal of Physical Chemistry Letters, 6(21), p 4229-4232.
R. Wodraszka and U. Manthe, “Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule”, Journal of Physical Chemistry Letters, vol. 6, 2015, pp. 4229-4232.
Wodraszka, R., Manthe, U.: Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule. Journal of Physical Chemistry Letters. 6, 4229-4232 (2015).
Wodraszka, Robert, and Manthe, Uwe. “Ch5+: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule”. Journal of Physical Chemistry Letters 6.21 (2015): 4229-4232.
This data publication is cited in the following publications:
This publication cites the following data publications:

1 Citation in Europe PMC

Data provided by Europe PubMed Central.

Symmetry of extremely floppy molecules: Molecular states beyond rotation-vibration separation.
Schmiedt H, Schlemmer S, Jensen P., J Chem Phys 143(15), 2015
PMID: 26493902

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Sources

PMID: 26538038
PubMed | Europe PMC

Search this title in

Google Scholar