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• W2036760723 abstract "2-(1‘-Pyridin-2‘-one)benzimidazole was synthesized in order to determine its structure in the solid state, its NMR properties, and its behavior in absorption−emission electronic spectroscopy. To rationalize these properties, ab initio calculations have been carried out on its ground and excited states. A three-center N−H···OC hydrogen bond connects the molecules in the crystal forming chains parallel to the c axis. The intramolecular hydrogen bond promotes coplanarity of both ring systems. In the ground state, only the N−H tautomer exists as a local minimum of the potential energy surface, while in the excited-state, both tautomers are found to be stable. The main consequence is that the photochemical behavior of this compound is governed by the existence of a proton transfer in its excited state." @default.
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• W2036760723 date "2001-11-28" @default.
• W2036760723 modified "2023-10-14" @default.
• W2036760723 title "Synthesis, X-ray Structure, and Properties of 2-(1‘-Pyridin-2‘-one)Benzimidazole" @default.
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• W2036760723 doi "https://doi.org/10.1021/jp012974z" @default.
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