Parity violating effects in the molecular anion CBrClF(-)

Stohner, Jürgen

doi:10.1016/j.ijms.2004.01.015

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Parity violating effects in the molecular anion CBrClF(-)
Authors:	Stohner, Jürgen
DOI:	10.1016/j.ijms.2004.01.015
Published in:	International Journal of Mass Spectrometry
Volume(Issue):	233
Issue:	1-3
Page(s):	385
Pages to:	394
Issue Date:	15-Apr-2004
Publisher / Ed. Institution:	Elsevier
ISSN:	1387-3806 1873-2798
Language:	English
Subjects:	Parity; Violation; Carbanion; Molecular
Subject (DDC):	540: Chemistry
Abstract:	We examine the influence of molecular parity violation on relative vibrational frequency shifts in the carbanion CBrClF−. The parity violating potential has been calculated following the method of Berger and Quack [J. Chem. Phys. 112 (2000) 3148] using a multi-configurational linear response approach. The vibrational frequency shifts have been determined in the separable harmonic (SHAA) and anharmonic (SAAA) adiabatic approximation. We find that CBrClF− shows larger (in absolute magnitude) relative frequency shifts compared to the neutral CHBrClF. The relative frequency shifts depend strongly on the vibrational wavefunction used to determine the expectation value of the parity violating potential. We determined also the energetic stability of CBrClF− with respect to electron detachment, Br− and Cl− abstraction and protonation to form CHBrClF.
URI:	https://digitalcollection.zhaw.ch/handle/11475/4450
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	Life Sciences and Facility Management
Appears in collections:	Publikationen Life Sciences und Facility Management

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Stohner, J. (2004). Parity violating effects in the molecular anion CBrClF(-). International Journal of Mass Spectrometry, 233(1-3), 385–394. https://doi.org/10.1016/j.ijms.2004.01.015

Stohner, J. (2004) ‘Parity violating effects in the molecular anion CBrClF(-)’, International Journal of Mass Spectrometry, 233(1-3), pp. 385–394. Available at: https://doi.org/10.1016/j.ijms.2004.01.015.

J. Stohner, “Parity violating effects in the molecular anion CBrClF(-),” International Journal of Mass Spectrometry, vol. 233, no. 1-3, pp. 385–394, Apr. 2004, doi: 10.1016/j.ijms.2004.01.015.

STOHNER, Jürgen, 2004. Parity violating effects in the molecular anion CBrClF(-). International Journal of Mass Spectrometry. 15 April 2004. Bd. 233, Nr. 1-3, S. 385–394. DOI 10.1016/j.ijms.2004.01.015

Stohner, Jürgen. 2004. “Parity Violating Effects in the Molecular Anion CBrClF(-).” International Journal of Mass Spectrometry 233 (1-3): 385–94. https://doi.org/10.1016/j.ijms.2004.01.015.

Stohner, Jürgen. “Parity Violating Effects in the Molecular Anion CBrClF(-).” International Journal of Mass Spectrometry, vol. 233, no. 1-3, Apr. 2004, pp. 385–94, https://doi.org/10.1016/j.ijms.2004.01.015.