Ab Initio Study of Internal Conversion through S-1/S-2 and S-2/S-3 Conical Intersections of 6-Acetyl-2-(N,N-dimethylamino)naphthalene

作者：Kunisada Tomotaka; Ushiyama Hiroshi^*; Yamashita Koichi

来源：Chemistry Letters, 2015, 44(12): 1753-1755.

DOI：10.1246/cl.150843

In this letter, we report the results of an ab initio study on non-radiative decay from the S-3 to S-1 states of the ACEDAN molecule. We discuss if the process is likely to occur on an ultrafast time scale and if a coherent nuclear wavepacket is likely to be generated due to a non-adiabatic transition through the conical intersection. We conclude that the decay from S-3 to S-2 is likely to occur on an ultrafast time scale.

• 出版日期2015-12-5