bis-(1H-Benzimidazol-2-yl)-methanone: New preparation method, crystal structure, vibrational spectroscopy and DFT calculations

…, FG Menezes, J Vicente, AJ Bortoluzzi, C Zucco…

Index: Miranda, Fabio da Silva; Menezes, Fabricio Gava; Vicente, Juliano; Bortoluzzi, Adailton J.; Zucco, Cesar; Neves, Ademir; Goncalves, Norberto Sanches Journal of Molecular Structure, 2009 , vol. 938, # 1-3 p. 1 - 9

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Citation Number: 6

Abstract

This study reports a new preparation of bis-(1H-benzimidazol-2-yl)-methanone, 3, an interesting compound prepared by the oxidation of bis-(1H-benzimidazol-2-yl)-methane using two methods:(i) Fe (II)/O2 in ethanol–water and (ii) hydrogen peroxide in acetic acid. Products of both methodologies were properly characterized by elemental analysis, IR, Raman,(1H and 13C) NMR and X-ray crystallography. DFT calculations [B3LYP/6-31+ G ( ...