Theoretical study on twisted intramolecular charge transfer of 1-aminoanthraquinone in different solvents<xref rid="cpb_27_8_083401_fn1" ref-type="fn">*</xref> <fn id="cpb_27_8_083401_fn1"> <label>*</label> <p>Project supported by the Program of Outstanding Innovation Team of Hubei Normal University, China (Grant No. T201502), the Natural Science Foundation of Hubei Province, China (Grant Nos. 2014CFB349 and 2016CFC742), and the National Natural Science Foundation of China (Grant No. 11674355).</p> </fn>

Theoretical study on twisted intramolecular charge transfer of 1-aminoanthraquinone in different solvents* *

Project supported by the Program of Outstanding Innovation Team of Hubei Normal University, China (Grant No. T201502), the Natural Science Foundation of Hubei Province, China (Grant Nos. 2014CFB349 and 2016CFC742), and the National Natural Science Foundation of China (Grant No. 11674355).

Sun Si-Mei^{1, †}, Zhang Song², Jiang Chao¹, Guo Xiao-Shan¹, Hu Yi-Hui¹

(color online) Energies of the T₂ and S₁ states of 1-NH₂-AQ varying with twisted angle in cyclohexane (blue), dioxane (green), and ethanol (red) using B3LYP/6-311G, showing (a) vertical excitation energies of the excited states and (b) energies of the S₁ state.