3148-13-8Relevant articles and documents
Direct Irradiation of Phenol and Para-Substituted Phenols with a Laser Pulse (266 nm) in Homogeneous and Micro-heterogeneous Media. A Time-Resolved Spectroscopy Study
Siano, Gastón,Crespi, Stefano,Bonesi, Sergio M.
, p. 14012 - 14025 (2020/11/20)
Direct irradiation of para-substituted phenols under N2 atmosphere in homogeneous (cyclohexane, acetonitrile, and methanol) and micellar (SDS) solution was investigated by means of time-resolved spectroscopy. After a laser pulse (266 nm), two transient species were formed, viz. the para-substituted phenol radical-cations and the corresponding phenoxy radicals. The radical-cations showed a broad absorption band located between 390 and 460 nm, while the phenoxy radicals showed two characteristic bands centered at 320 nm and 400-410 nm. The deprotonation rate constant of radical-cations (kH) of 105 s-1 and the reaction rate constant of the phenoxy radicals (kR) in the order of 109-1010 M-1·s-1 have been derived. The kH rate constants gave good linear Hammett correlation with positive slope indicating that electron-withdrawing substituents enhance the radical-cation acidity. The binding constants (Kb) of the para-substituted phenols with the surfactant were also measured, and NOESY experiments showed that phenols were located in the hydrophobic core of the micelle. Finally, computational calculations provided the predicted absorption spectra of the transients and nice linear correlations were obtained between the theoretical and experimental energy of the lower absorption band of these species.
A laser flash photolysis and theoretical study of hydrogen abstraction from phenols by triplet α-naphthoflavone
De Lucas, Nanci C.,Fraga, Helena S.,Cardoso, Cristiane P.,Correa, Rodrigo J.,Garden, Simon J.,Netto-Ferreira
experimental part, p. 10746 - 10753 (2011/05/19)
The hydrogen abstraction (HA) reaction by the triplet of α-naphthoflavone (1) has been investigated experimentally by the use of laser flash photolysis (LFP) and theoretically with density functional theory (DFT) and atoms in molecules (AIM). The triplet
Localized electron transfer in nonpoiar solution: reaction of phenols and thiophenols with free solvent radical cations
Brede, Ortwin,Ganapathi, Mahalaxmi R.,Naumov, Sergej,Naumann, Wolfgang,Hermann, Ralf
, p. 3757 - 3764 (2007/10/03)
Free electron transfer (FET) is understood as the reaction of free and uncorrelated solvent parent radical cations with solutes characterized by a lower ionization potential than those of the solvent. We studied electron transfer from phenols and thiophen
