Lindic Mirko Matthias, Zajonz Matthias, Hebestreit Marie-Luise, Schneider Michael, Meerts W Leo, Schmitt Michael
Heinrich-Heine-Universität, Institut für Physikalische Chemie I, D-40225 Düsseldorf, Germany.
Radboud University, Institute for Molecules and Materials, Felix Laboratory, Toernooiveld 7c, 6525 ED Nijmegen, the Netherlands.
Data Brief. 2018 Oct 3;21:313-315. doi: 10.1016/j.dib.2018.09.110. eCollection 2018 Dec.
We present the temperature dependent density, fluorescence emission and absorption spectroscopic data, that are needed for an evaluation of the excited state dipole moment of anisole in ethyl acetate via the methods of thermochromic shifts. Furthermore, the rotationally resolved electronic Stark spectrum of anisole in the molecular beam is presented. Finally, the Cartesian coordinates of the CC2/cc-pVTZ optimized structures of anisole are given in bohr units. For details about the evaluation of the dipole moments from the given data, see the connected research article: Lindic et al. (2018) [1].
我们展示了温度相关的密度、荧光发射和吸收光谱数据，这些数据是通过热致变色位移方法评估乙酸乙酯中苯甲醚激发态偶极矩所必需的。此外，还展示了分子束中苯甲醚的旋转分辨电子斯塔克光谱。最后，给出了苯甲醚的CC2/cc-pVTZ优化结构的笛卡尔坐标（单位为玻尔）。有关从给定数据评估偶极矩的详细信息，请参阅相关研究文章：Lindic等人（2018年）[1]。
