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首页> 外文期刊>Chemical Physics Letters >Reactivity of HNCO with NH3 at low temperature monitored by FTIR spectroscopy: formation of NH4+OCN-
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Reactivity of HNCO with NH3 at low temperature monitored by FTIR spectroscopy: formation of NH4+OCN-

机译：FTIR光谱监测低温下HNCO与NH3的反应性：NH4 + OCN-的形成

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摘要

The reactivity of isocyanic acid (HNCO) with solid ammonia (NH3) was first studied at 10 K, using FTIR spectroscopy. The ammonium isocyanate (NH4+OCN-) is formed from a reaction between HNCO and NH3. Vibrational band assignments for NH4+OCN- have been given. On the other hand, when HNCO is adsorbed on amorphous NH3 film, the reaction does not occur. Warming up of this sample at 90 K induces the NH4+OCN- formation. Quantum calculations showed that the solvation of NH3 directly bonded to HNCO by at least three NH3 molecules plays a major role in the NH4+OCN- formation process and confirmed the spontaneous character of this reaction. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 30]
机译：异氰酸（HNCO）与固体氨（NH3）的反应性首先是在10 K下使用FTIR光谱研究的。异氰酸铵（NH4 + OCN-）由HNCO和NH3之间的反应形成。给出了NH4 + OCN-的振动带分配。另一方面，当HNCO被吸附在非晶态NH 3膜上时，反应不会发生。在90 K下加热样品会导致NH4 + OCN-形成。量子计算表明，至少三个NH3分子直接键合到HNCO上的NH3溶剂化在NH4 + OCN-形成过程中起主要作用，并证实了该反应的自发性。 （C）2002 Elsevier Science B.V.保留所有权利。 [参考：30]

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