A new insight into the photochemistry of avobenzone in gas phase and acetonitrile from ab initio calculations

作者:Kojic Marko; Petkovic Milena; Etinski Mihajlo
来源:Physical Chemistry Chemical Physics, 2016, 18(32): 22168-22178.
DOI:10.1039/c6cp03533g

摘要

Coupled cluster based calculations on the ground and excited states of avobenzone provide mechanistic understanding of formation of transient tautomers upon photoexcitation of the chelated enol form.

  • 出版日期2016-8-28