Breaking the plane: B5H5 is a three-dimensional structure

Gerardo Hernández-Juárez; Jorge Barroso; Alejandro Vásquez-Espinal; Filiberto Ortíz-Chi; William Tiznado; Fernando Murillo; Gabriel Merino

doi:10.1039/d4cp00029c

Breaking the plane: B₅H₅ is a three-dimensional structure

Gerardo Hernández-Juárez, Jorge Barroso, Alejandro Vásquez-Espinal, Filiberto Ortíz-Chi, William Tiznado, Fernando Murillo, Gabriel Merino

Producción científica: Contribución a una revista › Artículo › revisión exhaustiva

1 Cita (Scopus)

Resumen

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.

Idioma original	Inglés
Páginas (desde-hasta)	8089-8093
Número de páginas	5
Publicación	Physical Chemistry Chemical Physics
Volumen	26
N.º	10
DOI	https://doi.org/10.1039/d4cp00029c
Estado	Publicada - 16 feb. 2024

Áreas temáticas de ASJC Scopus

Física y Astronomía General
Química física y teórica

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10.1039/d4cp00029c

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AU - Murillo, Fernando

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