Suppr超能文献

低能非弹性ND-H碰撞中的成像散射共振

Imaging scattering resonances in low-energy inelastic ND-H collisions.

作者信息

Kuijpers Stach E J, Parker David H, Loreau Jérôme, van der Avoird Ad, van de Meerakker Sebastiaan Y T

机构信息

Radboud University, Institute for Molecules and Materials, Nijmegen, the Netherlands.

KU Leuven, Department of Chemistry, Leuven, Belgium.

出版信息

Nat Commun. 2025 Aug 5;16(1):7181. doi: 10.1038/s41467-025-62511-5.

Abstract

A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension to more complex systems is essential to probe the true quantum nature of chemically more relevant processes, but is thus far hampered by major obstacles. Here, we present a joint experimental and theoretical study of scattering resonances in state-to-state inelastic collisions for the six-atom ND-H/HD systems across the collision energy range 0.5-25 cm, bringing this type of experiment into the realm of polyatomic symmetric top molecules. Strong resonances are resolved in the integral cross sections, whereas differential cross sections are measured with high resolution using a laser ionization scheme involving VUV light. The experimental data could only be reproduced using theoretical predictions based on a potential energy surface at the CCSD(T) level of theory with corrections at the CCSDT(Q) level.

摘要

散射共振是低温分子碰撞中最显著的量子效应之一。几十年前在理论上就已被预测到,但仅在最多涉及四个原子的系统中通过实验得到了解析。将其扩展到更复杂的系统对于探究化学上更相关过程的真正量子本质至关重要,但迄今为止受到重大障碍的阻碍。在此,我们针对六原子 ND-H/HD 系统在 0.5 - 25 cm 的碰撞能量范围内进行了态 - 态非弹性碰撞中散射共振的联合实验和理论研究,将这类实验带入了多原子对称陀螺分子的领域。在积分截面中分辨出了强共振,而使用涉及真空紫外光的激光电离方案以高分辨率测量了微分截面。只有基于理论水平为 CCSD(T) 并在 CCSDT(Q) 水平进行修正的势能面的理论预测才能重现实验数据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/614d/12325946/86b69c569915/41467_2025_62511_Fig1_HTML.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验