Charge distribution and aromaticity in protonated urazole.

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Tác giả: Christoph Jessen, Andreas J Kornath, Alexander Nitzer

Ngôn ngữ: eng

Ký hiệu phân loại: 541.363 Changes of state (Phase transformations)

Thông tin xuất bản: England : Chemical communications (Cambridge, England) , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 658370

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Urazol was reacted in various superacidic media, and its mono- and diprotonated species were isolated and characterized by Raman and NMR spectroscopy as well as single crystal X-ray structure determination. Quantum chemical calculations were employed to characterize charge localization with mapped electrostatic potentials and NPA charges. NICS(0) was calculated to evaluate the aromatic character of urazole and its cations. The results were used to compare the protonation of urazole to that of parabanic acid.

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