Fluorescent difference between two rhodamine-PAHs polystyrene solid-phase sensors for Hg(II) detection based on crystal structure and density functional theory calculation

Yi Li; Jinen Xiong; Shuang Li; Xiangjun Wen; Tao Yu; Yichen Lu; Xiong Xiong; Yuanjian Liu; Xiaohui Xiong

doi:10.1016/j.saa.2020.118277

Fluorescent difference between two rhodamine-PAHs polystyrene solid-phase sensors for Hg(II) detection based on crystal structure and density functional theory calculation

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Jun 15:234:118277. doi: 10.1016/j.saa.2020.118277. Epub 2020 Mar 19.

Authors

Yi Li¹, Jinen Xiong¹, Shuang Li¹, Xiangjun Wen¹, Tao Yu², Yichen Lu¹, Xiong Xiong¹, Yuanjian Liu¹, Xiaohui Xiong³

Affiliations

¹ College of Food Science and Light Industry, Nanjing Tech University, Nanjing 211816, PR China.
² School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, PR China.
³ College of Food Science and Light Industry, Nanjing Tech University, Nanjing 211816, PR China. Electronic address: xxh@njtech.edu.cn.

PMID: 32217455
DOI: 10.1016/j.saa.2020.118277

Abstract

Two novel rhodamine-polystyrene solid-phase fluorescence sensors PS-RB-2 and PS-R6G-2 with pyrene or naphthalene as fluorophore were synthesized for Hg(II) detection. Their structures were characterized by Fourier transform infrared (FTIR) spectra and scanning electron micrographs (SEM). Sensor PS-RB-2 displayed higher selectivity and sensitivity to Hg(II), with a lower detection limit of 0.065 μM. A detection mechanism involving the Hg(II) chelation-induced spirocycle open of rhodamine was proposed and discussed from theoretic level based on crystal structures and density functional theory (DFT) calculations. Sensor PS-RB-2 with recyclable and environment-friendly performance was successfully employed to fluorescent detection of Hg(II) in real water and fish samples, indicating its good potential in practical application. Its solid phase extraction columns were developed for rapid detection of Hg(II) by observing the color change with the naked eyes.

Keywords: Chloromethyl polystyrene microspheres; Density functional theory (DFT) calculation; Hg(II) detection mechanism; Rhodamine-PAHs solid-phase fluorescence sensor.