Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli,CrystEngComm

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Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli
CrystEngComm ( IF 2.6 ) Pub Date : 2020-11-09 , DOI: 10.1039/d0ce01539c
Yanning Han _{1,

2,

3,

4,

5} , Tong Zhang _{1,

2,

3,

4,

5} , Xinyu Chen _{1,

2,

3,

4,

5} , Qiao Chen _{1,

2,

3,

4,

5} , Pengchong Xue _{1,

2,

3,

4,

5}

Affiliation

Two C₃-symmetric triphenylamine derivatives with three terminal cyano units as electron acceptors were prepared to investigate the effect of the spacer group on their photophysical properties and responses towards force. Their electronic transitions were carefully studied by electrochemistry, solvent-dependent spectroscopy and quantum chemical calculations. The results suggested that introducing a double bond between the donor and acceptor results in the longer absorption and emission wavelengths of TPAVCN owing to elevated HOMO and lowered LUMO energy levels and induces a larger excited state dipole moment because of the extended conjugated length. In polar solvents, both TPACN and TPAVCN possessed a longer emission wavelength. Theoretical calculations suggested that bathochromic shifts in emission bands could be ascribed to the large polar excited states owing to the light excitation-induced intramolecular charge transfer. Moreover, TPAVCN had a larger charge transfer length and average degree of the spatial extension of hole and electron distribution because of its longer molecular length. In crystals, TPAVCN had a longer emission wavelength relative to that of TPACN. Moreover, both compounds could reversibly change their fluorescence under force and solvent annealing stimuli, and their mechanochromic properties were regulated by spacer groups. TPACN changed its fluorescence from blue to cyan with a spectral shift of 12 nm after grinding, but a large spectral shift of 30 nm, and an obvious fluorescent color change from green to yellow were observed while grinding pristine TPAVCN solids.

中文翻译：

间隔基团控制的发光和C3对称三苯胺衍生物对力刺激的响应

两个C ₃制备了具有三个末端氰基单元作为电子受体的对称三苯胺衍生物，以研究间隔基对其光物理性质和对力的响应的影响。通过电化学，溶剂依赖性光谱和量子化学计算，对它们的电子跃迁进行了仔细研究。结果表明，由于HOMO的升高和LUMO能量水平的降低，在供体和受体之间引入双键会导致TPAVCN的吸收和发射波长更长，并且由于共轭长度的延长而引起更大的激发态偶极矩。在极性溶剂中，TPACN和TPAVCN均具有更长的发射波长。理论计算表明，由于光激发引起的分子内电荷转移，发射带中的红移可能归因于大的极性激发态。此外，TPAVCN具有较长的分子长度，因此具有较大的电荷转移长度以及空穴和电子分布的平均空间扩展程度。在晶体中，TPAVCN的发射波长比TPACN的发射波长长。此外，两种化合物都可以在力和溶剂退火刺激下可逆地改变其荧光，并且其机械致变色性质由间隔基团调节。TPACN研磨后其荧光从蓝色变为青绿色，光谱位移为12 nm，但较大的光谱位移为30 nm，

更新日期：2020-11-23

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