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Issue 22, 2017
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Chiral differentiation of D- and L-alanine by permethylated β-cyclodextrin: IRMPD spectroscopy and DFT methods

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Abstract

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−1. 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−1) bands in the observed spectra to the stretch motions of completely isolated alanine –OH groups.

Graphical abstract: Chiral differentiation of d- and l-alanine by permethylated β-cyclodextrin: IRMPD spectroscopy and DFT methods

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Publication details

The article was received on 18 Feb 2017, accepted on 09 May 2017 and first published on 10 May 2017


Article type: Paper
DOI: 10.1039/C7CP01085K
Citation: Phys. Chem. Chem. Phys., 2017,19, 14729-14737
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    Chiral differentiation of D- and L-alanine by permethylated β-cyclodextrin: IRMPD spectroscopy and DFT methods

    S. Lee, S. Park, Y. Hong, J. Lee, J. Kim, D. Yoon, X. Kong, S. Lee and H. B. Oh, Phys. Chem. Chem. Phys., 2017, 19, 14729
    DOI: 10.1039/C7CP01085K

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