Can You Really Do Chemisty Experiments About Isothiazole

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Related Products of 288-16-4, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.288-16-4, Name is Isothiazole, molecular formula is C3H3NS. In a Article£¬once mentioned of 288-16-4

Time-Resolved Photoelectron Studies of Thiophene and 2,5-Dimethylthiophene

The photoinduced dynamics of thiophene and 2,5-dimethylthiophene (2,5-DMT) were investigated upon excitation at 200 and 255 nm (2,5-DMT only) using time-resolved photoelectron spectroscopy and compared with results from ab initio coupled cluster calculations. For thiophene, depopulation of the initially excited B2(pi3pi4?) state to the lower-lying A1(pi2pi4?) state occurs within 25 ¡À 20 fs, with a subsequent bifurcation into a ring-puckering channel and a ring-opening channel with lifetimes of 80 ¡À 20 and 450 ¡À 50 fs, respectively. For 2,5-DMT, the dynamics following excitation at 200 nm is described by a monoexponential decay with a time constant of 120 ¡À 20 fs, while that following excitation at 255 nm is best fit by a biexponential decay with time constants of 115 ¡À 20 fs and 15 ¡À 3 ps, respectively. The fast signal observed after excitation of 2,5-DMT is assigned to the ring-opening channel, which is favored with respect to thiophene due to a lower excited-state barrier along the ring-opening coordinate and an increased inertia toward the ring-puckering channel. Coupled cluster calculations have been undertaken to compare the relaxation dynamics of thiophene to thiazole and isothiazole. For the latter two molecules, we find a strong gradient along the ring-opening coordinate in the Franck-Condon region of the initially populated pipi? state and predict that ring-opening is the dominating relaxation channel after photoexcitation. We use the extracted information for a comparison of the thiophene dynamics with the light-induced processes observed in other five-membered heterocyclic molecules.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com