Dirk Hollenwäger*, Yvonne Morgenstern, Lea Daumer, Valentin Bockmair and Andreas J. Kornath,
{"title":"Structural Investigation of Diprotonated Glycine, Diprotonated Glycine Methyl Ester, and Monoprotonated Glycinoyl Fluoride","authors":"Dirk Hollenwäger*, Yvonne Morgenstern, Lea Daumer, Valentin Bockmair and Andreas J. Kornath, ","doi":"10.1021/acsearthspacechem.4c0020310.1021/acsearthspacechem.4c00203","DOIUrl":null,"url":null,"abstract":"<p >Glycine and its methyl ester hydrochloride were investigated in superacidic media HF/<i>M</i>F<sub>5</sub> (<i>M</i> = As, Sb). The diprotonated species were obtained as [<i>M</i>F<sub>6</sub>]<sup>−</sup> salts (<i>M</i> = As, Sb). The colorless salts were characterized by vibrational spectroscopy, NMR spectroscopy, and single-crystal diffraction. Glycinoyl fluoride was isolated for the first time as a solid and characterized by vibrational spectroscopy, NMR spectroscopy, and single X-ray diffraction. Glycinoyl fluoride was investigated in the superacidic medium HF/MF<sub>5</sub> (<i>M</i> = As, Sb). The salts of the diprotonated species were obtained and characterized by vibrational spectroscopy. The experimental data are discussed together with quantum chemical calculations at the M06-2X/aug-cc-pVTZ level of theory.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 10","pages":"2101–2109 2101–2109"},"PeriodicalIF":2.9000,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Earth and Space Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsearthspacechem.4c00203","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Glycine and its methyl ester hydrochloride were investigated in superacidic media HF/MF5 (M = As, Sb). The diprotonated species were obtained as [MF6]− salts (M = As, Sb). The colorless salts were characterized by vibrational spectroscopy, NMR spectroscopy, and single-crystal diffraction. Glycinoyl fluoride was isolated for the first time as a solid and characterized by vibrational spectroscopy, NMR spectroscopy, and single X-ray diffraction. Glycinoyl fluoride was investigated in the superacidic medium HF/MF5 (M = As, Sb). The salts of the diprotonated species were obtained and characterized by vibrational spectroscopy. The experimental data are discussed together with quantum chemical calculations at the M06-2X/aug-cc-pVTZ level of theory.
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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