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瞬态取向不对称顶部分子的超快电子衍射:旋转动力学与结构检索

Ultrafast electron diffraction from transiently aligned asymmetric top molecules: Rotational dynamics and structure retrieval.

作者信息

Wilkin Kyle J, Xiong Yanwei, Zhao Haoran, Muvva Sri Bhavya, Saha Sajib Kumar, Centurion Martin

机构信息

Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA.

出版信息

Struct Dyn. 2022 Oct 17;9(5):054303. doi: 10.1063/4.0000163. eCollection 2022 Sep.

Abstract

Ultrafast electron diffraction (UED) from aligned molecules in the gas phase has successfully retrieved structures of both linear and symmetric top molecules. Alignment of asymmetric tops has been recorded with UED but no structural information was retrieved. We present here the extraction of two-dimensional structural information from simple transformations of experimental diffraction patterns of aligned molecules as a proof-of-principle for the recovery of the full structure. We align 4-fluorobenzotrifluoride with a linearly polarized laser and show that we can distinguish between atomic pairs with equal distances that are parallel and perpendicular to the aligned axis. We additionally show with numerical simulations that by cooling the molecules to a rotational temperature of 1 K, more distances and angles can be resolved through direct transformations.

摘要

气相中排列分子的超快电子衍射(UED)已成功获取了线性分子和对称陀螺分子的结构。非对称陀螺分子的排列已通过UED记录下来,但未获取到结构信息。我们在此展示了从排列分子的实验衍射图案的简单变换中提取二维结构信息,以此作为恢复完整结构的原理验证。我们用线偏振激光使4-氟三氟甲苯排列,并表明我们能够区分与排列轴平行和垂直的等距原子对。我们还通过数值模拟表明,将分子冷却至1 K的转动温度,可以通过直接变换解析更多的距离和角度。

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