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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Experimental and Theoretical Investigations into the addition of Cations, Radicals, and Radical Cations to Nitriles
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Experimental and Theoretical Investigations into the addition of Cations, Radicals, and Radical Cations to Nitriles

机译：关于在腈中添加阳离子，自由基和自由基阳离子的实验和理论研究

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The additions of cations, radicals, and radical cations to nitriles, in particular acetonitrile, have been investigated. The literature reports examples of all of these reactions and on the basis of these reports as well as our own experimental and theoretical results, conclusions can be drawn concerning the preferred mode of addition to the nitrile moiety. There is a clear preference for cations to add to the nitrogen of the nitrile. Similar behavior is observed with radical cations. Radicals, on the other hand, prefer to add to the carbon of the nitrile. Examples of reactions that proceed via these preferred modes of additions, as well as some examples of reactions that do not follow these general trends, are discussed. The experimental results are compared to those of ab initio molecular orbital calculations.
机译：已经研究了向腈特别是乙腈中添加阳离子，自由基和自由基阳离子。文献报道了所有这些反应的实例，并且在这些报道以及我们自己的实验和理论结果的基础上，可以得出关于腈部分的优选添加方式的结论。显然希望阳离子能添加到腈的氮中。对于自由基阳离子，观察到类似的行为。另一方面，自由基更喜欢添加腈的碳。讨论了通过这些优选的添加方式进行的反应的例子，以及不遵循这些一般趋势的反应的一些例子。将实验结果与从头算分子轨道计算的结果进行比较。

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