A New Aggregation Induced Emission Active Halochromic White Light Emissive Molecule: Combined Experimental and Theoretical Study

被引：23

作者：

Chaudhary, Jagrity ^{[1
]}

Mittal, Vibhor ^{[1
]}

Mishra, Shivangi ^{[2
]}

Daiya, Ankita ^{[2
]}

Chowdhury, Rajdeep ^{[2
]}

Laskar, Inamur Rahaman ^{[1
]}

Roy, Ram Kinkar ^{[1
]}

机构：

[1] Birla Inst Technol & Sci, Dept Chem, Pilani 333031, Rajasthan, India

[2] Birla Inst Technol & Sci, Dept Biol Sci, Pilani 333031, Rajasthan, India

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2020年 / 124卷 / 28期

关键词：

DENSITY-FUNCTIONAL THEORY; ELECTRONIC EXCITATION; CHARGE-TRANSFER; INTRACELLULAR PH; EXCITED-STATES; RED; APPROXIMATION; PERFORMANCE; EXCHANGE; FAMILY;

D O I：

10.1021/acs.jpcc.0c01067

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Red/near infrared-emissive organic molecules that are aggregation induced emission (AIE) active and having a pH-sensitive core are high in-demand for real-world applications. We have designed and synthesized a far-red to near infrared (NIR) fluorogenic donor-acceptor (D-A) type probe 4-((4-(2-(3,3-dimethyl-3H-indole-2-yOvinyl)phenyl)(phenyl)amino)benzaldehyde (TPA-SCY), that can undergo protonation with a stronger intramolecular charge transfer. The molecule is pH-sensitive and responds to the acidic behavior of chloroform to produce a unique halochromic white-light emission. Owing to its sensitivity toward pH and its highly emissive nature in the red/NIR region at low pH (approximately 3-5), it accumulates in the intracellular lysosomes and can be used as a live-tracker for lysosomes. Successful application of timedependent density functional theory with the use of an optimally tuned range-separated hybrid functional reproduces the experimental absorption and emission spectra within the 1-5 nm range (which is not observed when conventional range-separated hybrid functionals are used). Thus, the present work embodies synthesis and photophysical studies (supported by an efficient and highly accurate theoretical tool) of a new AIE active halochromic white light emissive molecule with extensive charge transfer properties and having the ability to behave as a live LysoTracker.

引用

页码：15406 / 15417

页数：12

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