Rotational Isomerization of Dithienylethenes: A Study on the Mechanism Determining Quantum Yield of Cyclization Reaction

Aiming at the improvement of the photochemical performance of dithienylethenes, we present an analysis of the parameters that influence the quantum yield. We address some basic features of the ground-state potential energy surface of the photochromic dithienylethenes, showing the existence of three...

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, 2003-06, Vol.107 (25), p.4982-4988
Hauptverfasser:	Goldberg, Alexander, Murakami, Akinori, Kanda, Katsuya, Kobayashi, Takao, Nakamura, Shinichiro, Uchida, Kingo, Sekiya, Hiroshi, Fukaminato, Tuyoshi, Kawai, Tsuyoshi, Kobatake, Seiya, Irie, Masahiro
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Beschreibung
Zusammenfassung:	Aiming at the improvement of the photochemical performance of dithienylethenes, we present an analysis of the parameters that influence the quantum yield. We address some basic features of the ground-state potential energy surface of the photochromic dithienylethenes, showing the existence of three to five rotational conformers. Among those, only one is reactive. The energetical ordering and energy gaps between different conformers are investigated. The calculated results were compared to X-ray, proton NMR, and absorption spectra.
ISSN:	1089-5639 1520-5215
DOI:	10.1021/jp0213553