Large Steric Substituent-Entangled Luminescence Enhancement under High Pressure

Han，Jun1; Liu，Wei2; Wang，Zexin2; Zheng，Qunfei1; Yao，Xiaodong1; Li，Chenkai1; Zhang，Xinyu1; Liu，Ying1; Xie，Lijun2; Zhu，Jinlong1

2023-08-17

10.1021/acs.jpcc.3c03552

Journal of Physical Chemistry C   Impact Factor & Quartile

1932-7447

1932-7455

Pressure-induced emission enhancement is a new and effective way to manipulate the color of organic materials. However, the specific fluorescence enhancement mechanism and the causes of the color change have not been previously well explored. Herein, two rofecoxib derivatives, MOX2 and Y7, were synthesized with methyl sulfonyl and cyan as the terminal groups on the para-position of the benzene ring ② (Ph-②), and their fluorescence behavior was investigated at 0-20 GPa. The two compounds exhibit opposite pressure-tuned fluorescent behavior in the 0-3.1 GPa range. Theoretical calculation indicates that the −SOCH group of MOX2 directs the dihedral angle between the Ph-② and Ph-③ ring planes to an optimized steric position, producing a large steric hindrance and neutralizing the influence of pressure on the benzene ring, which results in the invariance of the fluorescence peak position. The change in this dihedral angle is mainly caused by the gradual formation of hydrogen bonds between the O atoms on −SO and the H atoms of the benzene ring, resulting in a 6.3-fold increase in the fluorescence intensity. Conversely, the luminescence intensity of Y7 is monotonously suppressed as the pressure is increased due to the smaller size of the −C≡N substituent. This study provides a reference for regulating the luminescence properties of organic molecules.

SCI

English

First ; Corresponding

Xi'an Modern Chemistry Research Institute[SYJJ200303] ; National Natural Science Foundation of China[11904281] ; Natural Science Foundation of Fujian Province[2020J06028]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:001041656600001

AMER CHEMICAL SOC

2-s2.0-85168483376

Scopus

1.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
2.Fujian Provincial Key Laboratory of Screening for Novel Microbial Products,Fujian Institute of Microbiology,Fuzhou,Fujian,350007,China

Han，Jun,Liu，Wei,Wang，Zexin,et al. Large Steric Substituent-Entangled Luminescence Enhancement under High Pressure[J]. Journal of Physical Chemistry C,2023,127(32):16156-16161.

Han，Jun.,Liu，Wei.,Wang，Zexin.,Zheng，Qunfei.,Yao，Xiaodong.,...&Zhu，Jinlong.(2023).Large Steric Substituent-Entangled Luminescence Enhancement under High Pressure.Journal of Physical Chemistry C,127(32),16156-16161.

Han，Jun,et al."Large Steric Substituent-Entangled Luminescence Enhancement under High Pressure".Journal of Physical Chemistry C 127.32(2023):16156-16161.