Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer
نویسندگان
چکیده
منابع مشابه
Excited-state double proton transfer of 7-azaindole dimers in a low-temperature organic glass.
The excited-state double proton transfer of model DNA base pairs, 7-azaindole (7AI) dimers, is explored in a low-temperature organic glass of n-dodecane using picosecond time-resolved fluorescence spectroscopy. Reaction mechanisms are found to depend on the conformations of 7AI dimers at the moment of excitation; whereas planar conformers tautomerize rapidly (<10 ps), twisted conformers undergo...
متن کاملSemiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers
An ab initio excited state potential energy surface is constructed for describing excited state double proton transfer in the tautomerization reaction of photo-excited 7-azaindole dimers, and the ultrafast dynamics is simulated using the semiclassical ~SC! initial value representation ~IVR!. The potential energy surface, determined in a reduced dimensionality, is obtained at the CIS level of qu...
متن کاملFemtosecond cluster studies of the solvated 7-azaindole excited state double-proton transfer.
Presented here are femtosecond pump-probe studies on the water-solvated 7-azaindole dimer, a model DNA base pair. In particular, studies are presented that further elucidate the nature of the reactive and nonreactive dimers and also provide new insights establishing that the excited state double-proton transfer in the dimer occurs in a stepwise rather than a concerted manner. A major question a...
متن کاملReply to Catalán: Double-proton-transfer dynamics of photo-excited 7-azaindole dimers
The letter by Catalán (1) is concerned with the nature of double-proton transfer in dimers of 7-azaindole (7-AI), and the pertinent issue is whether or not the reaction is concerted. The subject is not new, and, for organic reactions, it has been discussed in the literature for decades. It is now understood that the concerted/consecutive mechanism has to be defined based on the timescale of the...
متن کاملResolution of concerted versus sequential mechanisms in photo-induced double-proton transfer reaction in 7-azaindole H-bonded dimer.
The experimental and theoretical bases for a synchronous or concerted double-proton transfer in centro-symmetric H-bonded electronically excited molecular dimers are presented. The prototype model is the 7-azaindole dimer. New research offers confirmation of a concerted mechanism for excited-state biprotonic transfer. Recent femtosecond photoionization and coulombic explosion techniques have gi...
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ژورنال
عنوان ژورنال: Chemical Science
سال: 2015
ISSN: 2041-6520,2041-6539
DOI: 10.1039/c5sc01902h