Structural Characterization of β-Glycolaldehyde Dimer

IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Croatica Chemica Acta Pub Date : 2020-04-24 DOI:10.5562/cca3606
V. Mohaček-Grošev, B. Prugovečki, S. Prugovečki
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引用次数: 0

Abstract

Structural characterization of the β-polymorph of glycolaldehyde dimer by powder X-ray diffraction, Raman and infrared spectroscopies is described. The previously described α-polymorph and the β-polymorph both crystallize in the monoclinic crystal system, space group P21/c, but with different cell parameters. There are no significant differences in the glycolaldehyde dimer molecular structure, the molecules in both polymorphs are trans-isomers with the hydroxyl groups in axial positions. The two polymorphs have a different arrangement of the glycolaldehyde dimer molecules. In the previously reported α-polymorph the molecules are arranged in hydrogen bonded layers parallel to (100) while in the β-polymorph the hydrogen bonded molecules are arranged in a three-dimensional network. Theoretically calculated Gibbs free energy as well as differential scanning calorimetry indicate β-polymorph to be the stable crystal phase of glycolaldehyde.
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β-乙醇醛二聚体的结构表征
用粉末x射线衍射、拉曼光谱和红外光谱对乙醇醛二聚体β-多晶结构进行了表征。α-多晶和β-多晶均在单斜晶体系P21/c空间群中结晶,但细胞参数不同。乙醇醛二聚体的分子结构无明显差异,两种多晶型均为反式异构体,羟基在轴向位置。这两种多晶型具有不同的乙醇醛二聚体分子排列。在先前报道的α-多晶型中,分子排列在平行于(100)的氢键层中,而在β-多晶型中,氢键分子排列在三维网络中。理论计算的吉布斯自由能和差示扫描量热法表明β-多晶是乙醇醛的稳定晶相。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Croatica Chemica Acta
Croatica Chemica Acta 化学-化学综合
CiteScore
0.60
自引率
0.00%
发文量
3
审稿时长
18 months
期刊介绍: Croatica Chemica Acta (Croat. Chem. Acta, CCA), is an international journal of the Croatian Chemical Society publishing scientific articles of general interest to chemistry.
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