Solid-Grinded Cocrystals of Acridine and 3,5-Dinitrobenzoic Acid: A Cocrystal with Strong Cocrystallization Ability and Two-Photon Excited Fluorescence Property

被引：2

作者：

Zhou, Qian ^{[1
]}

Du, Huitian ^{[1
]}

Yu, Yuan ^{[1
]}

Liu, Chenghao ^{[1
]}

Li, Jing ^{[2
]}

Ren, Junfeng ^{[3
]}

Ji, Ziwu ^{[1
]}

Pang, Zhiyong ^{[1
]}

机构：

[1] Shandong Univ, Sch Microelect, State Key Lab Crystal Mat, Jinan 250100, Peoples R China

[2] Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Photochem Convers & Optoelect Mat, Beijing 100190, Peoples R China

[3] Shandong Normal Univ, Sch Phys & Elect, Jinan 250358, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2022年 / 126卷 / 31期

基金：

中国国家自然科学基金;

关键词：

CHARGE-TRANSFER INTERACTIONS; TRANSPORT-PROPERTIES; ABSORPTION; CRYSTALS; CARBONYL; DESIGN;

D O I：

10.1021/acs.jpcc.2c02726

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：

The solvent-free fabrication of nonlinear optical (NLO) cocrystals is a challenge in view of the insufficient cocrystallization ability of most molecules. Here, we reported a charge-transfer (CT) cocrystal with a strong cocrystallization ability and a two-photon excited fluorescence (TPEF) property. The structural and optical properties were experimentally investigated by X-ray diffraction (XRD), Raman, Fourier transform infrared (FTIR), absorption, photoluminescence (PL), and two -photon excited fluorescence spectra. Furthermore, they were theoretically discussed by molecular electrostatic potential (MEP), Hirshfeld surface, reduced density gradient (RDG), frontier molecular orbitals (FMO), time-dependent density functional theory (TDDFT), and quadratic response calculations based on the DALTON program. Our work may be helpful for further "green" solvent-free fabrication of NLO materials.

引用

页码：13381 / 13387

页数：7