草酸二（甘氨酸）：氘化效应，单晶中子衍射和拉曼光谱研究

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Structural Chemistry Pub Date : 2024-12-07 DOI:10.1007/s11224-024-02414-1

R. Chitra, R. R. Choudhury, Geogy J. Abraham

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引用次数: 0

摘要

草酸二甘氨酸（BGO）的晶体结构被很强的O-H稳定。O氢键除了N-H…O和C-H…O氢键。为了探究氘化对这些氢键的影响，我们生长了完全氘化（FDBGO）、c -氘化（CDBGO）和n -氘化双甘氨酸草酸盐（NDBGO）晶体。进行了单晶中子衍射和拉曼光谱研究。中子衍射研究发现，O - h - O氢键的O…O距离在氘化过程中减小，表现出逆ubbelode效应。中子衍射和拉曼光谱研究也发现了部分氘化。DSC研究显示无相变。这四种晶体的熔点在151 ~ 158℃的范围内变化很小。

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Bis(glycinium) oxalate: effect of deuteration, single crystal neutron diffraction and Raman spectroscopic studies

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.

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来源期刊

Structural Chemistry 化学-化学综合

CiteScore

3.80

自引率

11.80%

发文量

227

审稿时长

3.7 months

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.