In:
ChemPhysChem, Wiley, Vol. 23, No. 4 ( 2022-02-16)
Abstract:
We herein report two salicyaldehyde‐quinoxaline ( HQS and HQSN ) conjugates and a benzaldehyde‐quinoxaline ( QBN ) conjugate to fabricate selective chemosensors for F − and Hg 2+ in the micromolar range. This work demonstrates how sensing outcomes are affected by modulating proton acidity by introducing an electron donating group, −NEt 2 , in the probe backbone. Interestingly, the un‐substituted probe HQS can selectively detect F − , whereas HQSN and QBN are selective for Hg 2+ . In order to gain insights into the mechanism of sensing, geometry optimizations have been carried out on QS (−1) , QS (−1) ⋅⋅⋅HF , QSN (−1) and QSN (−1) ⋅⋅⋅HF and the experimental data are validated in terms of free energy and pK a values. Detailed DFT and TD‐DFT analyses provide ample support towards the mechanism of sensing of the analytes.
Type of Medium:
Online Resource
ISSN:
1439-4235
,
1439-7641
DOI:
10.1002/cphc.202100718
Language:
English
Publisher:
Wiley
Publication Date:
2022
detail.hit.zdb_id:
2025223-7
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