Structure and Reactivity of the 1,10-Phenanthroline Complex with Nitrenium Cation |
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Authors: | Andreev R V Borodkin G I Gatilov Yu V Shakirov M M Shubin V G |
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Institution: | (1) Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Division, Russian Academy of Sciences, pr. Akademika Lavrent eva 9, Novosibirsk, 630090, Russia |
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Abstract: | According to the X-ray diffraction data, the cationic fragment in 1-amino-1,10-phenanthrolinium mesitylenesulfonate is a unidentate n-complex whose asymmetric structure is retained in solution. Quantum-chemical calculations by the AM1 method and ab initio (6-31G, 6-31G*, MP2/6-31G) give geometric parameters of the cation, which are similar to those determined experimentally. No dynamic processes involving intra- or intermolecular transfer of the NH2 group was observed up to 100°C by NMR spectroscopy. 1-Amino-1,10-phenanthrolinium cation does not react with 4-methylpyridine and 4-methyl-1,10-phenan-throline with transfer of the amino group, and it fails to react with mesitylene and anthracene at elevated temperature. |
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