The potential energy surfaces of dyes displaying strong excited-state intramolecular proton transfer (ESIPT) are investigated with the help of ab initio tools. It allows us to rationalize the interplay between the excited-state transition free energies and the observed optical signatures.

Download full-text PDF

Source
http://dx.doi.org/10.1039/c3cp54703eDOI Listing

Publication Analysis

Top Keywords

optical signatures
8
modeling optical
4
signatures excited-state
4
excited-state reactivities
4
reactivities substituted
4
substituted hydroxyphenylbenzoxazole
4
hydroxyphenylbenzoxazole hbo
4
hbo esipt
4
esipt dyes
4
dyes potential
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!