{"title":"Bis(glycinium) oxalate: effect of deuteration, single crystal neutron diffraction and Raman spectroscopic studies","authors":"R. Chitra, R. R. Choudhury, Geogy J. Abraham","doi":"10.1007/s11224-024-02414-1","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structure of bis(glycinium) oxalate (BGO) is stabilized by a very strong O–H..O hydrogen bond apart from N–H…O and C-H…O hydrogen bonds. To probe the effect of deuteration on these hydrogen bonds, fully deuterated (FDBGO), C-deuterated(CDBGO), and N-deuterated bis(glycinium) oxalate (NDBGO) crystals were grown. Single crystal neutron diffraction and Raman spectroscopic studies were carried out. It was found from neutron diffraction studies that the O…O distance of the O–H…O hydrogen bond reduced on deuteration showing an inverse Ubbelohde effect. The neutron diffraction and Raman spectroscopic studies also revealed partial deuteration. The DSC studies showed no phase transition. Variation of the melting point amongst the four crystals was in a very small range from 151 to 158 °C.</p></div>","PeriodicalId":780,"journal":{"name":"Structural Chemistry","volume":"36 3","pages":"1003 - 1014"},"PeriodicalIF":2.1000,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11224-024-02414-1.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11224-024-02414-1","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The crystal structure of bis(glycinium) oxalate (BGO) is stabilized by a very strong O–H..O hydrogen bond apart from N–H…O and C-H…O hydrogen bonds. To probe the effect of deuteration on these hydrogen bonds, fully deuterated (FDBGO), C-deuterated(CDBGO), and N-deuterated bis(glycinium) oxalate (NDBGO) crystals were grown. Single crystal neutron diffraction and Raman spectroscopic studies were carried out. It was found from neutron diffraction studies that the O…O distance of the O–H…O hydrogen bond reduced on deuteration showing an inverse Ubbelohde effect. The neutron diffraction and Raman spectroscopic studies also revealed partial deuteration. The DSC studies showed no phase transition. Variation of the melting point amongst the four crystals was in a very small range from 151 to 158 °C.
期刊介绍：
Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry.
We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.
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