Lee Sung-Sik, Park Soojin, Hong Yin, Lee Jae-Ung, Kim Jun-Hyeok, Yoon Dongkyung, Kong Xianglei, Lee Sungyul, Oh Han Bin
Department of Applied Chemistry, Kyung Hee University, Gyeonggi 446-701, Republic of Korea.
Phys Chem Chem Phys. 2017 Jun 7;19(22):14729-14737. doi: 10.1039/c7cp01085k.
The gaseous chiral differentiation of alanine by permethylated β-cyclodextrin was studied using IRMPD spectroscopy and density functional theory calculations. The protonated non-covalent complexes of permethylated β-cyclodextrin and d- or l-alanine were mass-selected and investigated by IR laser pulses in the wavelength region of 2650-3800 cm. The remarkably different features of the IRMPD spectra for d- and l-alanine are described, and their origin is elucidated by quantum chemical calculations. We show that the differentiation of the experimentally observed spectral features is the result of different local interactions of d- and l-alanine with permethylated β-cyclodextrin. We also assign the extremely high-frequency (>3700 cm) bands in the observed spectra to the stretch motions of completely isolated alanine -OH groups.
使用红外多光子解离光谱（IRMPD）和密度泛函理论计算研究了全甲基化β-环糊精对丙氨酸的气态手性区分。对全甲基化β-环糊精与d-或l-丙氨酸的质子化非共价复合物进行质量选择，并通过波长范围为2650 - 3800 cm的红外激光脉冲进行研究。描述了d-和l-丙氨酸的IRMPD光谱的显著不同特征，并通过量子化学计算阐明了其起源。我们表明，实验观察到的光谱特征的区分是d-和l-丙氨酸与全甲基化β-环糊精不同局部相互作用的结果。我们还将观察到的光谱中极高频率（>3700 cm）的谱带归因于完全孤立的丙氨酸-OH基团的伸缩运动。
