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Confirming a Predicted Selection Rule in Inelastic Neutron Scattering Spectroscopy: The Quantum Translator-Rotator H_2 Entrapped Inside C_(60)

机译:在非弹性中子散射光谱学中确定预测的选择规则:夹杂在C_(60)内的量子平移旋转体H_2

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摘要

We report an inelastic neutron scattering (INS) study of a H_2 molecule encapsulated inside the fullerene C_(60) which confirms the recently predicted selection rule, the first to be established for the INS spectroscopy of aperiodic, discrete molecular compounds. Several transitions from the ground state of para-H_2 to certain excited translation-rotation states, forbidden according to the selection rule, are systematically absent from the INS spectra, thus validating the selection rule with a high degree of confidence. Its confirmation sets a precedent, as it runs counter to the widely held view that the INS spectroscopy of molecular compounds is not subject to any selection rules.
机译:我们报告的富勒烯C_(60)内封装的H_2分子的非弹性中子散射(INS)研究证实了最近预测的选择规则,这是第一个为非周期性,离散分子化合物的INS光谱学建立的规则。 INS光谱系统地不存在根据选择规则禁止的从对位H_2的基态到某些激发的平移旋转状态的跃迁,因此可以高度可信地验证选择规则。它的确认开创了先例,因为它与普遍认为分子化合物的INS光谱不受任何选择规则约束的观点背道而驰。

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  • 来源
    《Physical review letters》 |2014年第12期|123001.1-123001.5|共5页
  • 作者单位

    Department of Chemistry, New York University, New York, New York 10003, USA;

    Institut Laue-Langevin, BP 156, 38042 Grenoble, France;

    Institut Laue-Langevin, BP 156, 38042 Grenoble, France;

    Institut Laue-Langevin, BP 156, 38042 Grenoble, France;

    Department of Chemistry, New York University, New York, New York 10003, USA;

    School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom;

    School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom;

    Department of Chemistry, Columbia University, New York, New York 10027, USA;

    Department of Chemistry, New York University, New York, New York 10003, USA, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China;

    School of Physics & Astronomy, University of Nottingham, Nottingham NG7 2RD, United Kingdom;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    rotational analysis;

    机译:旋转分析;
  • 入库时间 2022-08-18 03:17:16

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