In:
MRS Proceedings, Springer Science and Business Media LLC, Vol. 965 ( 2006)
Abstract:
We report an ab initio study of a photochromic dithienylethene derivative. The mechanisms for switching between open and closed conformations are investigated based on total energy calculations for the ground and excited state. An explanation for the central ring closure based on relaxation of the excited state is presented.
Type of Medium:
Online Resource
ISSN:
0272-9172
,
1946-4274
DOI:
10.1557/PROC-0965-S09-41
Language:
English
Publisher:
Springer Science and Business Media LLC
Publication Date:
2006