Wenfang Liu, Bingqiang Wang, Caiyun Zhang, Xiaofen Yin and Jian Zhang Theoretical study on a chemosensor for fluoride anion-based on a urea derivative International Journal of Quantum Chemistry 114
N-Phenyl-N′-(3-quinolinyl)urea (PQU) is a novel urea-based chemosensor for fluoride anions. Its sensingmechanismcan be clarified by first-principles methods like DFT/TDDFT. The double intermolecular hydrogen bonds in the system strongly influence the deprotonation mechanismthat occurs upon the addition of the F atom, and thus the absorption and emission spectra of this sensor.
Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf