Quantum-Chemical Simulation of the Solvent Effect on Spontaneous Emission of Singlet Oxygen

Highly Facile Strategy for Detecting D2O in H2O by Porphyrin-Based Luminescent Probes

“…Generally, the solvent containing hydroxyl group (the O−H vibration frequency is about 3600 cm −1 ) could increase the vibration relaxation rate of the singlet oxygen so that H 2 O can decrease the lifetime of the singlet oxygen, and its lifetime in H 2 O is shorter than that in other solvents. 18 However, because it is facile, practical, and stable, water is an ideal solvent for most practically analytical experiments in most cases. On the basis of the above-described results, we turn our attention to D 2 O as a solvent because of its very similar property to H 2 O.…”

“… , This is because the perturbation effect of solvent molecules has a great influence on the nonradiative relaxation rate of a singlet oxygen, which would transform the excited state energy of oxygen molecules into the vibrational energy of solvent molecules. Generally, the solvent containing hydroxyl group (the O–H vibration frequency is about 3600 cm –1 ) could increase the vibration relaxation rate of the singlet oxygen so that H 2 O can decrease the lifetime of the singlet oxygen, and its lifetime in H 2 O is shorter than that in other solvents . However, because it is facile, practical, and stable, water is an ideal solvent for most practically analytical experiments in most cases.…”