Theoretical investigation on the excited state intramolecular proton transfer in Me2N substituted flavonoid by the time-dependent density functional theory method Project supported by the National Basic Research Program of China (Grant No. 2013CB922204), the National Natural Science Foundation of China (Grant Nos. 11574115 and 11704146), and the Natural Science Foundation of Jilin Province, China (Grant No. 20150101063JC). |
(color online) Schematics of the MNF structure optimized at S0 and S1 states in (a) Enol, (b) Enol*, and (c) Keto* forms, showing hydrogen bond lengths, C atoms (light green), H atoms (white), O atoms (red), and N atoms (blue). |