1. Chromogenesis of a black fluoran dye: Theoretical and spectral studies.
- Author
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Zhang, Jun, Liang, Zhongyuan, Jiang, Zejin, and Dong, Chuan
- Subjects
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CHROMIC materials , *PHOTOCHROMIC materials , *COMPUTATIONAL chemistry , *INFRARED spectra , *CHROMOGENIC compounds , *DYES & dyeing - Abstract
• Chromogenic mechanism of B-15 was verified by both experimental and computational chemistry. • The optimize the geometry of B-15 in chromogenesis was proposed and presented. • The chromogenesis of B-15 was characterized by 1H NMR, FT-IR and UV–Vis spectra. Fluoran dyes are widely used as chromogenic reagents in thermochromic and photochromic materials due to their intrinsic halochromic properties. However, theoretical and spectral reports on fluoran-based chromic materials are still rare. This paper investigates the chromogenic mechanism of a black fluoran dye 2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran (B-15) through spectral experiments and theoretical calculations. Computational chemistry was employed to optimize the geometry of B-15 and validate a chromogenic mechanism. The proposed chromogenic structure of B-15 was further verified by infrared spectra. The chromogenic performances of B-15 by four kinds of color developers were quantitatively analyzed using spectrometric methods. The study comprehensively examines the chromogenic mechanism of fluoran dyes and provides a valuable reference for practical chromogenic systems based on fluoran dyes. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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