Structures, dipole moments and excited state lifetime of isolated 4-cyanoindole in its ground and lowest electronically excited singlet states
Structures, dipole moments and excited state lifetime of isolated 4-cyanoindole in its ground and lowest electronically excited singlet states
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DOI：
10.1039/c9cp01618j
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发表时间：
2019-07-21
影响因子：
3.3
通讯作者：
Schmitt, Michael
中科院分区：
文献类型：
--
作者：
Hebestreit, Marie-Luise;Schneider, Michael;Schmitt, Michael
测定并分析了4-氰吲哚和部分N-D、C-D氘化同位素物的旋分辨电子能谱。利用电子斯塔克光谱法测定了基态和电子激发态的偶极矩。从激发后的几何变化、跃迁偶极矩的取向和永久偶极矩的值可以看出，最低激发单重态是La对称的。分离得到的4-氰吲哚的激发态寿命为11 ns，而环氘同位素的激发态寿命为5 ~ 6 ns。基于电子激发单重态的不同电子性质，讨论了3-、4-和5-氰吲哚的不同行为。
The rotationally resolved electronic spectrum of 4-cyanoindole and some N-D and C-D deuterated isotopologues has been measured and analyzed. Dipole moments in the ground and electronically excited state have been determined, using electronic Stark spectroscopy. From the geometry changes upon excitation, orientation of the transition dipole moment, and the values for the permanent dipole moments, the lowest excited singlet state could be shown to be of La symmetry. The excited state lifetime of isolated 4-cyanoindole has been determined to be 11 ns, while for the ringdeuterated isotopologues lifetimes between 5 and 6 ns have been found. The different behavior of 3-, 4-, and 5-cyanoindole is discussed on the basis of the different electronic nature of the electronically excited singlet states.