Vibrational mode-specificity in the dynamics of the Cl + C2H6 → HCl + C2H5 reaction

2021 ◽  
Vol 155 (11) ◽  
pp. 114303
Author(s):  
Dóra Papp ◽  
Jun Li ◽  
Hua Guo ◽  
Gábor Czakó
Keyword(s):  
Vibrational Mode ◽  
Mode Specificity

scholarly journals Probing the origins of vibrational mode specificity in intramolecular dynamics through picosecond time-resolved photoelectron imaging studies

2017 ◽  
Vol 19 (7) ◽  
pp. 5051-5062 ◽  
Author(s):  
Julia A. Davies ◽  
Laura E. Whalley ◽  
Katharine L. Reid
Keyword(s):  
Energy Flow ◽  
Vibrational Mode ◽  
Imaging Studies ◽  
Intramolecular Dynamics ◽  
Photoelectron Imaging ◽  
Time Resolved ◽  
Torsion Vibration ◽  
Vibration Coupling ◽  
Intramolecular Energy Flow ◽  
Mode Specificity

Enhanced torsion-vibration coupling associated with a selected vibrational mode is shown to accelerate intramolecular energy flow in p-fluorotoluene.

Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH4 on Ni(111): a 15 dimensional study

2010 ◽  
Vol 12 (27) ◽  
pp. 7654 ◽  
Author(s):  
Krishnamohan G. Prasanna ◽  
Roar A. Olsen ◽  
Álvaro Valdés ◽  
Geert-Jan Kroes
Keyword(s):  
Vibrational Mode ◽  
Dissociative Chemisorption ◽  
Mode Specificity

Trivacancy-oxygen complex in silicon: Local vibrational mode characterization

2009 ◽  
Vol 404 (23-24) ◽  
pp. 4568-4571
Author(s):  
L.I. Murin ◽  
B.G. Svensson ◽  
J.L. Lindström ◽  
V.P. Markevich ◽  
C.A. Londos
Keyword(s):  
Vibrational Mode ◽  
Local Vibrational Mode ◽  
Oxygen Complex

Vibrational-mode frequencies of substitutional carbon inSi1−xCxalloys

2001 ◽  
Vol 63 (20) ◽  
Author(s):  
S. Kerdiles ◽  
A. Hairie ◽  
R. Rizk ◽  
C. Guedj
Keyword(s):  
Vibrational Mode

Static and Dynamic Structure of Molecular Monomers and Dimers of the Rare-earth Fluorides

2001 ◽  
Vol 56 (5) ◽  
pp. 381-385
Author(s):  
Z. Akdeniz ◽  
M . Gaune-Escard ◽  
M. P. Tosi
Keyword(s):  
Rare Earth ◽  
Bond Length ◽  
Geometrical Structure ◽  
Vibrational Mode ◽  
Dynamic Structure ◽  
Molecular Shape ◽  
Proposed Model ◽  
Infrared Studies ◽  
Charged Clusters ◽  
Good Agreement

Abstract We determine a model of the ionic interactions in RF3 compounds, where R is a rare-earth element in the series from La to Lu, by an analysis of data on the bond length and the vibrational mode frequencies of the PrF3, GdF3 and HoF3 molecular monomers. All RF3 monomers are predicted to have a pyramidal shape, displaying a progressive flattening of the molecular shape in parallel with the lanthanide contraction of the bond length. The vibrational frequencies of all monomers are calculated, the results being in good agreement with the data from infrared studies of matrix-isolated molecules. We also evaluate the geometrical structure and the vibrational spectrum of the La2F6 and Ce2F6 dimers, as a further test of the proposed model. -PACS 36.40.Wa (Charged clusters)

Vibrationally induced rotational axis switching: A novel mechanism for vibrational mode coupling

1992 ◽  
Vol 97 (9) ◽  
pp. 5956-5963 ◽  
Author(s):  
H. Li ◽  
Gregory S. Ezra ◽  
Laura A. Philips
Keyword(s):  
Mode Coupling ◽  
Vibrational Mode ◽  
Rotational Axis ◽  
Axis Switching
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