6119-32-0Relevant articles and documents
Tris(trimethylsilyl)silane (TTMSS)-derived radical reactivity toward alkenes: A combined quantum mechanical and laser flash photolysis study
Lalevee, Jacques,Allonas, Xavier,Fouassier, Jean Pierre
, p. 6434 - 6439 (2007)
(Figure Presented) The reactivity of the tris(trimethylsilyl)silane (TTMSS)-derived radical is studied through an approach combining laser flash photolysis and quantum mechanical calculations. The results obtained for TTMSS are compared both to a classica
The effect of the medium polarity on the mechanism of the reaction of hydroxybenzenes with hydrazyl radical in aprotic solvents
Belaya,Belyj,Zarechnaya,Scherbakov,Mikhalchuk,Doroshkevich
, p. 690 - 697 (2017/05/29)
Mechanisms of the reaction of di- and trihydroxybenzenes with 2,2′-diphenyl-1-picrylhydrazyl (stable radical) in aprotic media of different polarity have been elucidated by experimental and quantum-chemical methods. Kinetic, stoichiometric, and activation
Laser flash photolysis study of the reactivity of β-naphthoflavone triplet: Hydrogen abstraction and singlet oxygen generation
De Lucas, Nanci C.,Santos, Guilherme L.C.,Gaspar, Caio S.,Garden, Simon J.,Netto-Ferreira, José Carlos
, p. 121 - 129 (2015/02/19)
The absorption spectra for β-naphthoflavone (1) reveal a solvatochromic red shift in polar solvents which is consistent with the π,π? character of the S0 → S1 electronic transition. The laser flash photolysis technique has been used to characterize and study the reactivity of the triplet excited state of 1. Excitation (355 nm) of degassed solutions of 1, in acetonitrile, resulted in the formation of its corresponding triplet excited state. Addition of hydrogen donors, such as 2-propanol and 1,4-cyclohexadiene, led to triplet quenching and formation of a new transient, which was assigned to the corresponding ketyl radical obtained from a hydrogen abstraction reaction by triplet 1. This ketyl radical was characterized by experiments with methylviologen. The triplet excited state of 1 was efficiently quenched by phenols and N-acetyl l-tryptophan methyl ester. In all cases new transients were formed in the quenching process, which were assigned to the corresponding radical pair resulting from an initial electron transfer from the quencher to the excited naphthoflavone, followed by a fast proton transfer. Singlet oxygen (1O2) is formed from the triplet of 1, and a quantum yield of 0.51 was measured. TDDFT calculations with implicit solvation (IEF-PCM) were used to calculate the ground state UV-vis absorption spectrum, from which the nature of the lowest energy transitions were characterized, and the triplet-triplet absorption spectrum consistent with the triplet transient generated by LFP. Excellent correlation of the calculated and experimental spectra was achieved using the conventional PBE0 hybrid functional.
