甘醇酸与氮气在氩基质中形成的复合物。I. 结构和热效应。
Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I. Structures and Thermal Effects.
机构信息
Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw, Poland.
Department of Chemistry, University of Jyvaskyla, P.O.Box 35, 40014 Jyvaskyla, Finland.
出版信息
Molecules. 2019 Sep 7;24(18):3262. doi: 10.3390/molecules24183262.
Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-selective chemistry.
采用傅里叶变换红外光谱法（FTIR）在低温氩基质中研究了乙醇酸和氮之间的分子配合物，并通过 MP2 和 BLYPD3 计算得到支持。计算表明，在 MP2 和 BLYPD3 理论水平上，分别有 11 种和 10 种稳定的配合物结构。然而，实验中仅发现了一种涉及乙醇酸最稳定 SSC 构象的氢键配合物结构，其中氮分子与 SSC 构象的羧酸 OH 基团结合。在不同温度下沉积基质和退火实验中，该配合物表现出丰富的位点结构变化，为选择性化学提供了有趣的前景。
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