{"title":"Evaluating Infrared Absorption Parameters for Low-Temperature Ices Using Reflection-Absorption Infrared Spectroscopy.","authors":"Jack E Fulker, Martin McCoustra, Wendy A Brown","doi":"10.1021/acsearthspacechem.4c00394","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 3","pages":"746-756"},"PeriodicalIF":2.9000,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11931534/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Earth and Space Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acsearthspacechem.4c00394","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/3/20 0:00:00","PubModel":"eCollection","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
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.
期刊介绍：
The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.
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