Ab Initio Study of Switching Properties of Photochromic Dithienylethene Molecules
2006 (English)In: Materials Research Society Symposium Proceedings, ISSN 0272-9172, Vol. 965, 296-300 p.Article in journal (Refereed) Published
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 first excited state. An explanation for the central ring closure based on relaxation of the excited state is presented.
Place, publisher, year, edition, pages
2006. Vol. 965, 296-300 p.
Derivatives, Excited states, Molecular structure, Dithienylethene molecules, Switching properties
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-8604ScopusID: 2-s2.0-40949126958OAI: oai:DiVA.org:kth-8604DiVA: diva2:13971
QC 201011192008-06-022008-06-022010-11-19Bibliographically approved