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首页> 外文期刊>Chemistry: A European journal >Shapes and internal dynamics of the 1:1 adducts of ammonia with trans and gauche ethanol: A rotational study
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Shapes and internal dynamics of the 1:1 adducts of ammonia with trans and gauche ethanol: A rotational study

机译：氨与反式和凝缩乙醇的1：1加合物的形状和内部动力学：旋转研究

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摘要

Two 1:1 adducts of ammonia with ethanol have been characterized by using pulsed-jet FT microwave spectroscopy. They are formed with two different (trans and gauche), stable conformers of ethanol. Several internal-dynamics effects are reflected in the features of the rotational spectra. The trans complex shows the tunneling effects owing to internal rotation of both ammonia and the methyl group. The rotational transitions of the gauche species exhibit a small splitting that is related to tunneling through the potential-energy barrier between the two equivalent minima. A complex situation: Two different conformers of the ethanol-NH _3 complex have been characterized by Fourier transform microwave spectroscopy. NH _3 is linked to the gauche or trans forms of ethanol through an O-H?N hydrogen bond. The effects of three large amplitude motions (internal rotation of the CH _3 group, almost-free rotation of the NH _3 moiety, and tunneling between the two equivalent gauche forms) were observed.
机译：氨与乙醇的两个1：1加合物已通过使用脉冲喷射FT微波光谱法进行了表征。它们由两种不同的（反式和gauche）稳定构型的乙醇形成。旋转光谱的特征反映了几种内部动力学效应。反式配合物由于氨和甲基的内部旋转而显示出隧道效应。 gauche物种的旋转跃迁表现出很小的分裂，这与通过两个等效极小值之间的势能垒隧穿有关。复杂的情况：乙醇-NH 3配合物的两个不同构象物已通过傅里叶变换微波光谱法进行了表征。 NH_3通过O-H2N氢键连接到薄纱或反式乙醇上。观察到三个大幅度运动的影响（CH _3组的内部旋转，NH _3部分的几乎自由旋转以及两个等效纱布形式之间的隧穿）。

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