Electronic Transition Moment for the 0 sub(0) super(0) Band of the A arrow left X Transition in the Ethyl Peroxy Radical

Electronic Transition Moment for the 0 sub(0) super(0) Band of the A arrow left X Transition in the Ethyl Peroxy Radical

The electronic transition moment for the G-conformer of ethyl peroxy was determined from the experimentally measured value of the peak absorption cross-section and the simulation of its rovibronic spectrum using the results of the high resolution spectroscopy of this molecule. The resulting value is...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2011-02, Vol.115 (47), p.13931-13941-13931-13941
Hauptverfasser: Melnik, Dmitry, Thomas, Phillip S, Miller, Terry A
Format: Artikel
Sprache:eng
Schlagworte:
Cross sections
Electronic structure
Electronics
Mathematical analysis
Peroxy radicals
Physical chemistry
Simulation
Spectroscopy
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The electronic transition moment for the G-conformer of ethyl peroxy was determined from the experimentally measured value of the peak absorption cross-section and the simulation of its rovibronic spectrum using the results of the high resolution spectroscopy of this molecule. The resulting value is | mu sub(e) super(G)| = 2.55(6) 10 super(-2) Debye, which is compared to values from electronic structure calculations.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp207647h