Aggregation induced emission-excited state intramolecular proton transfer based “ off-on ” fluorescent sensor for Al 3+ ions in liquid and solid state

Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor

“…The corresponding theoretical electronic transition energies, oscillator strengths, and compositions have been listed in Table . It can be found the transition from S 0 to S 1 owns the biggest oscillator strength 2.3570 with the absorption peak 354 nm, which is consistent with experimental report 355 nm. Given the transition composition, the S 0 → S 1 transition mainly corresponds to the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) with 90.01%.…”

“…Comparing with the 1.786 kcal/mol in Figure A, we have reasons to believe that the synergetic PT could be excluded. In addition, the theoretical fluorescence peak of 2‐enol form is 457 nm, which is consistent with experimental 455 nm. And the emission peak of 2‐SPT structure is calculated to be 564 nm, which is also close to experimental 545 nm.…”

“…Exploring its photochemical properties, it has been found that the ESIPT reaction occurs in 2 molecule. In addition, 2 also presents high selectivity towards F and Cu anion and cation . Although the 2 system could be a good fluorescent probe, the detailed ESIPT mechanism is not very clear.…”

“…Very recently, Luximi et al design and synthesize a novel fluorescence molecule (in order to respect the original paper, herein, we also adopt the abbreviation “2” as the molecule name) that containing two intramolecular hydrogen bonds . Exploring its photochemical properties, it has been found that the ESIPT reaction occurs in 2 molecule.…”

Al(iii)-responsive “off–on” chemosensor based on rhodamine derivative and its application in cell imaging

“…The performance comparison of P and others reported chemosensors are listed in Table S1 (ESI †). It is can be seen from Table S1 † that most uorescent chemosensors present good selectivity and reversibility for Al 3+ , 17,18,[21][22][23][24]26 high uorescence quantum yield, [21][22][23]26 even down to 0.001 mM LOD, 18 and satisfactory qualitative analysis of cell imaging, 17,22,26 high binding constants at the level of 10 4 M À1 , [21][22][23]26 but some of them have more or less disadvantages, such as big background uorescence, 21,23,25 and unsuitable for cell imaging, 18,21,[23][24][25] irreversibility, 25 pure organic solvent. 18,21,25 Our newly developed chemosensor P based on rhodamine spirolactame derivative presents a number of attractive analytical features such as excellent detection limit, high association constant, good selectivity, high uorescence quantum yield, good reproducibility, and wide qualitative and quantitative analysis of ultratrace level Al 3+ in living cells.…”