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首页> 外文期刊>Bulletin of the Chemical Society of Japan >Application of Solid-State Vibrational Circular Dichroism for Intercalation Compounds of Layered Double Hydroxide and Amino Acids: Conformation of an Intercalated Phenylalanine
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Application of Solid-State Vibrational Circular Dichroism for Intercalation Compounds of Layered Double Hydroxide and Amino Acids: Conformation of an Intercalated Phenylalanine

机译：固态振动圆形二中间晶体分层对层叠双氢氧化物和氨基酸的嵌入化合物：嵌入苯丙氨酸的构象

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摘要

Solid-state vibrational circular dichroism (SD-VCD) spectra were measured for the intercalation compounds of layered double hydroxide (LDH) and D- or L-phenylalanine (D- or L-Phe). The investigated LDH was composed of Zn(II) and Al(III) in 2:1 molar ratio. For comparison, the SD-VCD spectra were recorded for enantiopure crystalline samples of Phe. The measured spectra were analyzed with the help of a theoretical simulation calculated by the Gaussian16 program. It was concluded that Phe formed a tetramer in the crystalline state, forming intermolecular hydrogen bonds between -COO- and -NH3+ groups. In the intercalated states, the neighboring Phe molecules oriented vertically to the layer surface in an anti-parallel fashion, forming their -COO- groups hydrogen bonded individually with the OH groups on the surface of LDH. The results demonstrated the utility of the SD-VCD method for obtaining the detailed conformation of a molecule within an inorganic host.
机译：测量固态振动圆形二色（SD-VCD）光谱法针对层状双氢氧化物（LDH）和D-或L-苯丙氨酸（D-或L-PHE）的嵌入化合物测量。 研究的LDH由Zn（II）和Al（III）中的2：1摩尔比组成。 为了进行比较，记录SD-VCD光谱以用于对映的PHE晶体晶体样品进行记录。 通过通过高斯16程序计算的理论模拟来分析测量的光谱。 结论是，PHE在结晶状态下形成四聚体，在-CO-和-NH3 +基团之间形成分子间氢键。 在插层状态中，相邻的PHE分子以抗平行方式垂直定向到层表面，形成它们的-CO-基团与LDH的表面上单独键合的它们的氢。 结果证明了SD-VCD方法以获得无机宿主内分子详细构象的效用。

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