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一个过渡态共振在62 - 102毫电子伏特能量范围内彻底重塑了 + → ( = 3) + 反应的角分布。

A Transition State Resonance Radically Reshapes Angular Distributions of the + → ( = 3) + Reaction in the 62-102 meV Energy Range.

作者信息

Sokolovski Dmitri, De Fazio Dario, Akhmatskaya Elena

机构信息

Departmento de Química-Física Química-Física, Universidad del País Vasco, UPV/EHU, 48940 Leioa, Spain.

IKERBASQUE, Basque Foundation for Science, Plaza Euskadi 5, 48009 Bilbao, Spain.

出版信息

ACS Phys Chem Au. 2025 Feb 4;5(2):219-226. doi: 10.1021/acsphyschemau.4c00096. eCollection 2025 Mar 26.

DOI:10.1021/acsphyschemau.4c00096
PMID:40160944
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11950844/
Abstract

Reactive angular distributions of the benchmark + ( = 0) → ( = 3) + reaction show unusual propensity toward small scattering angles, a subject of a long debate in the literature. We use Regge trajectories to quantify the resonance contributions to state-to-state differential cross sections. Conversion to complex energy poles allows us to attribute the effect almost exclusively to a transition state resonance, long known to exist in the + system and its isotopic variant + . For our detailed analysis of angular scattering we employ the package DCS_Regge, recently developed for the purpose [Akhmatskaya E.; Sokolovski D.Comput. Phys. Commun.2022, 277, 108370].

摘要

基准反应 + （ = 0）→（ = 3）+ 的反应性角分布显示出对小散射角的异常倾向，这是文献中长期争论的一个主题。我们使用Regge轨迹来量化共振对态对态微分截面的贡献。转换为复能极点使我们能够将这种效应几乎完全归因于一个过渡态共振，长期以来已知其存在于 + 系统及其同位素变体 + 中。为了对角散射进行详细分析，我们使用了最近为此目的开发的软件包DCS_Regge [Akhmatskaya E.; Sokolovski D.Comput. Phys. Commun.2022, 277, 108370]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/1b8fb49a9ba4/pg4c00096_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/9b2f4262a132/pg4c00096_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/cecb1f4d763c/pg4c00096_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/b05c32988c50/pg4c00096_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/62bacf283dcf/pg4c00096_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/f13a720b588e/pg4c00096_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/1b8fb49a9ba4/pg4c00096_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/9b2f4262a132/pg4c00096_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/cecb1f4d763c/pg4c00096_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/b05c32988c50/pg4c00096_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/62bacf283dcf/pg4c00096_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/f13a720b588e/pg4c00096_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7aac/11950844/1b8fb49a9ba4/pg4c00096_0006.jpg

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