Breaking the plane: B5H5 is a three-dimensional structure,Physical Chemistry Chemical Physics

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Breaking the plane: B5H5 is a three-dimensional structure
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2024-02-16 , DOI: 10.1039/d4cp00029c
Gerardo Hernández-Juárez ₁ , Jorge Barroso ₂ , Alejandro Vásquez-Espinal ₃ , Filiberto Ortíz-Chi ₄ , William Tiznado ₅ , Fernando Murillo ₁ , Gabriel Merino ₁

Affiliation

In this study, we delved into the structure of B₅H₅ and questioned some of its accepted assumptions. By exploring the potential energy surface, we found a new three-dimensional structure as the global minimum. This finding is in contrast with the previously hypothesized planar and cage-like models. Our exploration extends to the kinetic stability of various B₅H₅ isomers, offering insights into the dynamic behavior of these molecules.

中文翻译：

打破平面：B5H5是三维结构

在这项研究中，我们深入研究了 B ₅ H ₅的结构，并对一些公认的假设提出了质疑。通过探索势能面，我们发现了一种新的三维结构作为全局最小值。这一发现与之前假设的平面和笼状模型形成鲜明对比。我们的探索延伸到各种 B ₅ H ₅异构体的动力学稳定性，为这些分子的动态行为提供了见解。

更新日期：2024-02-21

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