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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Formaldoxime hydrogen bonded complexes with ammonia and hydrogen chloride
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Formaldoxime hydrogen bonded complexes with ammonia and hydrogen chloride

机译：甲醛与氨和氯化氢的氢键复合物

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An infrared spectroscopic and MP2/6-311++G(2d,2p) study of hydrogen bonded complexes of formaldoxime with ammonia and hydrogen chloride trapped in solid argon matrices is reported. Both 1:1 and 1:2 complexes between formaldoxime and ammonia, hydrogen chloride have been identified in the CH2NOH/NH3/Ar, CH2NOH/HCl/Ar matrices, respectively, their structures were determined by comparison of the spectra with the results of calculations. In the 1:1 complexes present in the argon matrices the OH group of formaldoxime acts as a proton donor for ammonia and the nitrogen atom acts as a proton acceptor for hydrogen chloride. In the 1:2 complexes ammonia or hydrogen chloride dimers interact both with the OH group and the nitrogen atom of CH2NOH to form seven membered cyclic structures stabilized by three hydrogen bonds. The theoretical spectra generally agree well with the experimental ones, but they seriously underestimate the shift of the OH stretch for the 1:1 CH2NOH center dot center dot center dot NH3 complex. (C) 2013 Elsevier B.V. All rights reserved.
机译：红外光谱法和MP2 / 6-311 ++ G（2d，2p）研究了福尔多肟与固体氩气基质中捕获的氨和氯化氢的氢键复合物。在CH2NOH / NH3 / Ar，CH2NOH / HCl / Ar基质中分别确定了福尔多肟与氨，氯化氢的1：1和1：2络合物，通过比较光谱和计算结果确定了它们的结构。在存在于氩气基质中的1：1配合物中，福尔多肟的OH基团充当氨的质子供体，而氮原子充当氯化氢的质子受体。在1：2的配合物中，氨或氯化氢二聚体与OH基团和CH2NOH的氮原子相互作用，形成由三个氢键稳定的七元环状结构。理论光谱通常与实验光谱基本吻合，但是它们严重低估了1：1 CH2NOH中心点中心点中心点NH3配合物的OH拉伸位移。 （C）2013 Elsevier B.V.保留所有权利。

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