@Article{JAMS-8-169,
author = {},
title = {Insights into the Fluoride Ions Response Mechanism for the Novel 2,2’:6’,2’’-Terpyridine Fluorescent Sensor},
journal = {Journal of Atomic and Molecular Sciences},
year = {2017},
volume = {8},
number = {4},
pages = {169--172},
abstract = {<p style="text-align: justify;">In this present work, the sensing mechanism of a novel fluoride chemosensor 2,2&#39;:6&#39;,2&#39;&#39;-terpyridine
(abbreviated as “2” according to previous experiment) has been investigated based on density functional
theory (DFT) and time-dependent DFT (TDDFT) methods. The theoretical electronic spectra (vertical
excitation energies and fluorescence peak) reproduced previous experimental results [RSC Adv. 2014, 4,
4041.], which confirms the rationality of our theoretical level used in this work. The constructed potential
energy curve suggest that the non-barrier process could be responsible for the rapid response to fluoride
anion. Analyses about binding energies demonstrate that only fluoride anion could be detected for 2
chemosensor in acetonitrile solvent. Comparing with other anions, we confirm the uniqueness of fluoride
anion for 2 sensor. In view of the excitation process, the strong intramolecular charge transfer (ICT) process
of $S_0→ S_1$ transition explain the redshift of absorption peak for 2 sensor with the addition of fluoride anion.
This work not only presents a straightforward sensing mechanism of fluoride anion for 2 chemosensor, but
also plays important roles in synthesizing and designing fluorescent sensors in future.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.101817.112917a},
url = {http://global-sci.org/intro/article_detail/jams/12562.html}
}