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使用反射吸收红外光谱法评估低温冰的红外吸收参数

Evaluating Infrared Absorption Parameters for Low-Temperature Ices Using Reflection-Absorption Infrared Spectroscopy.

作者信息

Fulker Jack E, McCoustra Martin, Brown Wendy A

机构信息

Department of Chemistry, University of Sussex, Falmer, Brighton BN1 9QJ, U.K.

Institute of Chemical Sciences, Heriot-Watt University, Edinburgh EH14 4AS, U.K.

出版信息

ACS Earth Space Chem. 2025 Mar 4;9(3):746-756. doi: 10.1021/acsearthspacechem.4c00394. eCollection 2025 Mar 20.

Abstract

We present infrared absorption coefficients, cross sections, and band strengths calculated from reflection-absorption infrared spectroscopy (RAIRS) data of molecular ices deposited on a highly oriented pyrolytic graphite (HOPG) surface at 28 K. We also describe an estimated conversion factor (encompassing considerations from the metal-surface selection rule and metal-surface enhancement factor for graphite) to explain how these parameters compare to those calculated using transmission infrared methods. Further, we discuss the limitations of this method and the assumptions which must be considered when evaluating absorption parameters from RAIRS data. The two species studied here (methyl acetate and methyl propanoate) were chosen to test these methods, as they are both astrochemically relevant and have previously been reported in the literature, providing a reliable benchmark.

摘要

我们展示了在28K下沉积在高度取向热解石墨(HOPG)表面的分子冰的反射吸收红外光谱(RAIRS)数据所计算出的红外吸收系数、截面和带强度。我们还描述了一个估计的转换因子(包括来自金属表面选择规则和石墨的金属表面增强因子的考虑因素),以解释这些参数与使用透射红外方法计算的参数相比情况如何。此外,我们讨论了该方法的局限性以及从RAIRS数据评估吸收参数时必须考虑的假设。这里研究的两种物质(乙酸甲酯和丙酸甲酯)被选来测试这些方法,因为它们在天体化学上都具有相关性,并且之前已在文献中报道过,提供了一个可靠的基准。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/49fe/11931534/ae7cdecd8275/sp4c00394_0001.jpg

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