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) Optimized conformations of 1-NH₂-AQ in (a) ground state and (b) the first excited singlet state in the gas phase. Vectors of dipole moments are displayed by the arrows: (a) × 2 and (b) × 0.7, respectively. Charge quantities of nitrogen atom in S₀ and S₁ states are 0.906 e⁻ and 0.650 e⁻, respectively.