论文类型：期刊论文
发表刊物：CHEMICAL PHYSICS LETTERS
收录刊物：Scopus、EI、SCIE
卷号：661
页面范围：257-262
ISSN号：0009-2614
关键字：Luminescent MOF; Nitro-explosives; TDDFT; Hydrogen bonding; Fluorescent probe
摘要：This paper investigates the luminescent properties of luminescent metal-organic framework (LMOF) [Zn-2(oba)(2)(bpy)], and its selectivity for the detection of nitro-explosives via fluorescence quenching, using the density functional and time-dependent density functional theories. The luminescent mechanism of the LMOF follows the electron transfer from ligand to ZnO quantum dot. The hydrogen bondings formed between LMOF and electron-withdrawing nitro-explosives as well as electron-donating aromatic compounds have different influences on the luminescent mechanism of the LMOF. The hydrogen bonding in the excited state was investigated to display the relationship between hydrogen bonding and fluorescence. (C) 2016 Elsevier B.V. All rights reserved.