期刊
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
卷 121, 期 22, 页码 -出版社
WILEY
DOI: 10.1002/qua.26793
关键词
chirality; electric field; glycine; next generation QTAIM
类别
资金
- National Natural Science Foundation of China [21673071]
- One Hundred Talents Foundation of Hunan Province
- EPSRC [EP/T021675/1] Funding Source: UKRI
The study identified hidden S-character chirality in glycine and induced stereoisomer formation through the application of an electric field; chirality control and bond-flexing were found to be influenced by the direction of the electric field; comparisons between glycine, alanine, and lactic acid quantified preferences for S and R stereoisomers.
We located hidden S-character chirality in formally achiral glycine using a vector-based interpretation of the total electronic charge density distribution. We induced the formation of stereoisomers in glycine by the application of an electric field. Control of chirality was indicated from the proportionate response to a non-structurally distorting electric field. The bond-flexing was determined to be a measure of bond strain, which could be a factor of three lower or higher, depending on the direction of the electric field, than in the absence of the electric field. The bond-anharmonicity was found to be approximately independent of the electric field. We also compared the formally achiral glycine with the chiral molecules alanine and lactic acid, quantifying the preferences for the S and R stereoisomers. The proportional response of the chiral discrimination to the magnitude and direction of the applied electric field indicated use of the chirality discrimination as a molecular similarity measure.
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