In an article, author is Fedorova, Victoria A., once mentioned the application of 73942-87-7, Name: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, Name is 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, molecular formula is C12H13NO3, molecular weight is 219.24, MDL number is MFCD02091565, category is amides-buliding-blocks. Now introduce a scientific discovery about this category.
Ultrafast Protonation of an Amide: Photoionization-Induced Proton Transfer in Phenol-Dimethylformamide Complex Cation
In this study we explore the photoionization-induced proton transfer (PT) dynamics in the hydrogen-bonded complex of phenol (PhOH) and a simple amide, dimethylformamide (DMF). Neutral PhOH-DMF complexes produced in a supersonic expansion are photoionized by femtosecond 1 + 1 resonance-enhanced multiphoton ionization via its S1 state, and the subsequent PT dynamics occurring in the [PhOH-DMF](+) cation is probed by delayed pulses that lead to ion fragmentation. The experiments and density functional theory calculations reveal that the photoionization-induced PT proceeds in two consecutive steps of very different time scales. Upon femtosecond ionization the [PhOH-DMF](+) cation is initially prepared with a non-PT geometry close to that of the dominant neutral complex. The ionic system then rapidly relaxes into a configuration possessing both non-PT and PT characteristics in similar to 0.5 ps. This partial-PT intermediate then undergoes a much slower barrier crossing in similar to 25 ps to a more stable structure in which PT is more complete. The slow isomerization step not only corresponds to PT but also to a hydrogen-bonding site switching. The present study simulates a scenario of suddenly bringing a strong acid to the close vicinity of an amide to watch how protonation occurs. Our results suggest that the initial protonation of a peptide-like unit in acid-induced protein processes requires a relaxation time of similar to 0.5 ps, which must be taken into account in complete descriptions of protein dynamics.
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