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FTIR spectroscopy of synthesized racemic nonacosan-10-ol: a model compound for plant epicuticular waxes

机译:合成的外消旋壬二酚10醇的FTIR光谱:植物表皮蜡的模型化合物

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摘要

As there are no published graphically presented, detailed IR spectra of nonacosan-10-ol (occurring naturally and widely in plant epicuticular waxes of nanotube form), near IR FTIR spectroscopy (fundamentals, overtones and combinations) has been performed on laboratory synthesized racemic nonacosan-10-ol, as a crystalline solid on Mylar and polypropylene substrates. Room temperature, in vacuo data are presented graphically, in full, and show evidence of extensive hydrogen bonding, an orthorhombic perpendicular subcell, a methylene wagging progression, diagnostic of all-trans conformational order, and Fermi resonance. Moderate or stronger anharmonicity is confirmed. Detailed discussion, quantitative in parts, is given of the observed spectral features, especially as to how they inform crystal structure and molecular conformation, and assignments given for some of the features. The results will serve as a reference for future IR studies of the natural epicuticular wax nanotube form of (S)-nonacosan-10-ol.
机译:由于没有以图形方式发表的出版物,已对实验室合成的外消旋壬二酚进行了壬二酚10醇(天然且广泛存在于纳米管形式的植物表皮蜡中的详细和广泛的红外光谱),近红外FTIR光谱(基本原理,泛音和组合)的研究。 -10-ol,为聚酯薄膜和聚丙烯基材上的结晶固体。室温下的真空数据以图形方式完整显示,并显示出广泛的氢键,正交正交的垂直亚电池,亚甲基摇摆的趋势,全反式构象顺序的诊断以及费米共振的证据。确认了中等或更强的非谐性。给出了部分定量的详细讨论,其中包括观察到的光谱特征,尤其是它们如何告知晶体结构和分子构象以及某些特征的赋值。该结果将为将来对(S)-nonacosan-10-ol的天然表皮蜡纳米管形式的IR研究提供参考。

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