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首页> 外文期刊>Icarus: International Journal of Solar System Studies >CO clathrate hydrate: Near to mid-IR spectroscopic signatures
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CO clathrate hydrate: Near to mid-IR spectroscopic signatures

机译:一氧化碳包合物水合物:接近中红外光谱特征

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Carbon monoxide is the second most abundant molecule after H2 in the molecular universe, and as such an abundant constituent of interstellar and Solar System ices. To trace the possibility of this molecule to be found in a clathrate hydrate inclusion compound, its pure phase FTIR spectrum is investigated. We confirm the formation of a type I clathrate structure whereas simple guest size estimates would favour a type II clathrate hydrate, revealing interactions of this molecule with its water network during clathrate formation. The observed cage vibrational downshift with respect to pure CO ice is within 5cm-1. The temperature dependent wavenumber separation between the two enclathrated CO vibrational transitions in the two distinct type I clathrate cages is less than a wavenumber below 140K, implying that the spectral simplification for detailed spectroscopic analysis of the individual profiles is a difficult task. The dynamics of the CO molecules in its cage change considerably from 5K to 140K. At temperatures above 30K, the molecule is extremely mobile in the cages, as revealed by the infrared profile, significantly different from CO entrapped in water ice and different from observed profiles in astrophysical objects.
机译:一氧化碳是分子宇宙中仅次于H2的第二大富集分子,因此是星际和太阳系冰层的丰富组成部分。为了追踪在笼形水合物包合物中发现该分子的可能性,研究了其纯相FTIR光谱。我们确认形成了I型笼形结构,而简单的来宾大小估计将倾向于II型笼形水合物,揭示了该分子在笼形形成过程中与其水网络的相互作用。相对于纯CO冰,观察到的笼式振动降档在5cm-1以内。在两个不同的I型笼形笼中,两个包围的CO振动跃迁之间的温度相关波数分离小于140K以下的波数,这意味着简化单个谱的详细光谱分析的光谱简化是一项艰巨的任务。笼中CO分子的动力学从5K到140K显着变化。在高于30K的温度下,该分子在笼子中极易移动,如红外图所示,该分子与截留在水冰中的一氧化碳明显不同,并且与天体物体中观察到的不同。

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