{"title":"Spectral extension of two glycolic acid conformers into the submillimeter regime","authors":"Chase P. Schultz, Susanna L. Widicus Weaver","doi":"10.1016/j.jms.2023.111791","DOIUrl":null,"url":null,"abstract":"<div><p><span><span><span>The rotational spectrum of </span>glycolic acid<span> has been extended to frequencies from 318 to 1000 GHz. Analysis of this spectrum builds upon previous experimental and theoretical studies performed on glycolic acid conformers. Extensive new assignments were made for the ground </span></span>vibrational state of the </span><span><math><mrow><mi>S</mi><mi>S</mi><mi>C</mi></mrow></math></span> conformer of glycolic acid in addition to the two lowest vibrational states. Assignments were also expanded for the <span><math><mrow><mi>A</mi><mi>A</mi><mi>T</mi></mrow></math></span><span><span> conformer of glycolic acid. This work improves the precision of some rotational constants and nearly all of the </span>centrifugal distortion constants<span> for each conformer and vibrational state. The spectral predictions based on these refined parameters will facilitate the search for glycolic acid in the interstellar medium at frequencies covered by submillimeter observatories.</span></span></p></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Spectroscopy","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022285223000565","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The rotational spectrum of glycolic acid has been extended to frequencies from 318 to 1000 GHz. Analysis of this spectrum builds upon previous experimental and theoretical studies performed on glycolic acid conformers. Extensive new assignments were made for the ground vibrational state of the conformer of glycolic acid in addition to the two lowest vibrational states. Assignments were also expanded for the conformer of glycolic acid. This work improves the precision of some rotational constants and nearly all of the centrifugal distortion constants for each conformer and vibrational state. The spectral predictions based on these refined parameters will facilitate the search for glycolic acid in the interstellar medium at frequencies covered by submillimeter observatories.
期刊介绍:
The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.