Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Dec;83(1):39-45. doi: 10.1016/j.saa.2011.07.008. Epub 2011 Jul 23.
Structural varieties of L-arginine trifluoroacetate (abbreviated as LATF) and L-arginine bis(trifluoroacetate), LABTF, in the solid state compounds were observed and analyzed by the nuclear magnetic resonance (NMR) spectroscopy. The guanidinium-carboxylate interaction plays an important role involving in the crystal structure construction. Conformational changes of L-Arg(+) and L-Arg(2+) cations result from the intrinsic structural difference by hydrogen bonding and electrostatic interactions. The low-temperature structure of its crystalline salt, L-arginine bis(trifluoroacetate), was determined to describe the hydrogen bonding interactions. In comparison with the crystal structure at room temperature, the low-temperature L-Arg(2+) cations present tiny conformational difference and the rotational disorder of CF(3) group disappears. FT-IR and Raman spectra were investigated and hydrogen bonding interactions were analyzed on the basis of its vibrational spectra. Results indicate that this type interaction is greatly contributive to the structural features and vibrational spectral properties.
通过核磁共振（NMR）光谱观察和分析了固态化合物中 L-精氨酸三氟乙酸盐（简称 LATF）和 L-精氨酸双（三氟乙酸盐），LABTF 的结构变体。胍基-羧酸相互作用在涉及晶体结构构建中起着重要作用。L-Arg(+)和 L-Arg(2+)阳离子的构象变化是由于氢键和静电相互作用导致的固有结构差异引起的。确定其结晶盐 L-精氨酸双（三氟乙酸盐）的低温结构，以描述氢键相互作用。与室温下的晶体结构相比，低温下的 L-Arg(2+)阳离子的构象略有差异，CF(3)基团的旋转无序消失。研究了 FT-IR 和拉曼光谱，并根据其振动光谱分析了氢键相互作用。结果表明，这种相互作用对结构特征和振动光谱性质有很大的贡献。
