Enol-keto switching in N‑Salicylidene-2-Bromoethylamine Schiff base ligand

کد مقاله : 1208-PHYCHEM23

نویسندگان

احمد جمالی مقدم * گروه مهندسی نفت

چکیده مقاله

The Excited state reaction coordinates and the consequent energy profiles of a Schiff Base N‑Salicylidene-2-Bromoethylamine (NSBA) have been investigated at the CC2 level of theory. The electron-driven proton transfer and torsional deformation have been identified as the important photochemical reaction coordinates. The potential energy profiles of the ground and the lowest excited singlet state are calculated. The excited state potential energy profile shows a barrier-less dissociation pattern along the O–H stretching coordinate which verifies the proton transfer reaction at the S1 state and the intramolecular hydrogen bonds between -OH group and nitrogen atom would be strengthened in the S1 state.

کلیدواژه ها

Schiff Base, Intramolecular Proton Transfer, Photochromism

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