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关于太空中环氧丙烷同手性形成可能性的理论研究。

Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space.

作者信息

Hori Yuta, Nakamura Honami, Sakawa Takahide, Watanabe Natsuki, Kayanuma Megumi, Shoji Mitsuo, Umemura Masayuki, Shigeta Yasuteru

机构信息

Center for Computational Sciences, University of Tsukuba, Ibaraki, Japan.

Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki, Japan.

出版信息

Astrobiology. 2022 Nov;22(11):1330-1336. doi: 10.1089/ast.2022.0005. Epub 2022 Sep 6.

DOI:10.1089/ast.2022.0005
PMID:36067332
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9618371/
Abstract

The preferential synthesis or destruction of a single enantiomer by ultraviolet circularly polarized light (UV-CPL) has been proposed as a possible triggering mechanism for the extraterrestrial origin of homochirality. Herein, we investigate the photoabsorption property of propylene oxide (-CHO) for UV-CPL in the Lyman-α region. Our calculations show that -CHO was produced by CH and CHCH(OH)CH or CH and O (triplet). The computed electronic circular dichroism spectra show that -CHO and the intermediate (CHCH(OH)CH) could absorb the UV-CPL originating from the Lyman-α emitter spectrum, suggesting that the photolysis of -CHO or CHCH(OH)CH upon irradiation could induce chiral symmetry breakage.

摘要

紫外圆偏振光（UV-CPL）对单一映体的优先合成或破坏被认为是地球外同手性起源的一种可能触发机制。在此，我们研究了环氧丙烷（-CHO）在莱曼-α区域对UV-CPL的光吸收特性。我们的计算表明，-CHO是由CH与CHCH(OH)CH或CH与O（三重态）产生的。计算得到的电子圆二色光谱表明，-CHO和中间体（CHCH(OH)CH）可以吸收源自莱曼-α发射光谱的UV-CPL，这表明照射时-CHO或CHCH(OH)CH的光解可能会导致手性对称性破缺。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/c577d64e4d9c/ast.2022.0005_figure5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/03b3b4d49ac8/ast.2022.0005_figure1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/f06461389b22/ast.2022.0005_figure2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/c451c9564bdf/ast.2022.0005_figure3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/625c4351e535/ast.2022.0005_figure4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/c577d64e4d9c/ast.2022.0005_figure5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/03b3b4d49ac8/ast.2022.0005_figure1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/f06461389b22/ast.2022.0005_figure2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/c451c9564bdf/ast.2022.0005_figure3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/625c4351e535/ast.2022.0005_figure4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4e9/9618371/c577d64e4d9c/ast.2022.0005_figure5.jpg

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The Astrophysical Formation of Asymmetric Molecules and the Emergence of a Chiral Bias.
不对称分子的天体物理形成与手性偏向的出现。
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Discovery of the interstellar chiral molecule propylene oxide (CH₃CHCH₂O).发现星际手性分子环氧丙烷（CH₃CHCH₂O）。
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