Papsdorf Monika, Pankiewicz Radosław
Department of Enviromental Physicochemistry, Faculty of Chemistry, Adam Mickiewicz University, Poznań Uniwersytetu Poznańskiego 8, 61-614 Poznań, Poland.
Molecules. 2023 Dec 14;28(24):8085. doi: 10.3390/molecules28248085.
A series of five esters of lasalocid with neopentyl alcohol (LasNeo), geraniol (LasGeran), 2-ethylhexanol (LasEtHex), eicosanol (LasEico) and vanillyl alcohol (LasVanil) were synthesized and studied by NMR, FT-IR and ESI-MS. Then, their complexes with lithium, sodium and potassium cations were obtained and examined using FT-IR. The analysis of the products confirmed the synthesis of new esters with good yields. The newly obtained compounds, as well as their complexes with monovalent cations, were proved to be stabilized by a strong system of intramolecular hydrogen bonds. The PM6 semiempirical calculations provided information on the heat of formation (HOF) and permitted the making of visual representations of the structures of the newly synthesized esters and their complexes with the investigated cations. All the computational outcomes were consistent with the spectroscopic data.
合成了一系列拉沙洛西与新戊醇（LasNeo）、香叶醇（LasGeran）、2-乙基己醇（LasEtHex）、二十醇（LasEico）和香草醇（LasVanil）形成的五种酯，并通过核磁共振（NMR）、傅里叶变换红外光谱（FT-IR）和电喷雾电离质谱（ESI-MS）进行了研究。然后，获得了它们与锂、钠和钾阳离子的配合物，并使用傅里叶变换红外光谱进行了检测。产物分析证实了新酯的合成，产率良好。新得到的化合物及其与单价阳离子的配合物被证明通过强分子内氢键系统得以稳定。PM6半经验计算提供了有关生成热（HOF）的信息，并允许对新合成的酯及其与所研究阳离子的配合物的结构进行可视化表示。所有计算结果均与光谱数据一致。
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