期刊
DALTON TRANSACTIONS
卷 49, 期 20, 页码 6572-6577出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0dt00945h
关键词
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资金
- PAPIIT UNAM Mexico [IN202820, IA202418]
- CONACyT [1789, CB-A1-S-8729]
- CONACyT, Mexico [236879, FC-2016/2412]
- CONACyT Mexico [276862, 270518, 567379]
- UAM
- Direccion General de Computo y Tecnologias de Informacion y Comunicacion (DGTIC), Universidad Nacional Autonoma de Mexico (UNAM) [LANCAD-UNAM-DGTIC-141]
The fluorescent properties of MIL-53(Al)-TDC are drastically changed due to the presence of iodine, even in small quantities, as a result of an energy transfer process from the host material (MIL-53(Al)-TDC) to the guest molecule (I-2). While MIL-53(Al)-TDC's emission spectrum shows a weak and broad band, after I-2 adsorption, it exhibits well-resolved and long-lasting emission lines, which could be exploited for iodine detection. Density Functional Theory periodical calculations demonstrated that in the most stable MIL-53(Al)-TDC center dot center dot center dot I-2 configuration, the I-2 molecule is bonded mainly by an O-H center dot center dot center dot I hydrogen bond. The QTAIM showed that other non-covalent interactions also provided stability to MIL-53(Al)-TDC center dot center dot center dot I-2. The electrostatic potential analysis indicated that the I-2 molecule adsorption occurs by a combination of specific interactions with a strong electrostatic contribution and weak interactions. These results postulate fluorescent MIL-53(Al)-TDC as an efficient I-2 detector (potentially for radioactive I-2), using a simple fluorimetric test.
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