pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction.
In this work, a new model compound, the twisted intramolecular charge transfer (TICT) excited state of Milrinone (MIR), has been theoretically presented. MIR exists in different tautomeric and ionic forms in aqueous solution with different pH values. The TICT excited state properties for various forms of MIR are demonstrated to be significantly different and controlled by the pH values of MIR in aqueous solution.
Zhao
Guang-Jiu
GJ
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China. gjzhao@dicp.ac.cn
Han
Ke-Li
KL