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Breaking the plane: B5H5 is a three-dimensional structure.

Authors :
Hernández-Juárez, Gerardo
Barroso, Jorge
Vásquez-Espinal, Alejandro
Ortíz-Chi, Filiberto
Tiznado, William
Murillo, Fernando
Merino, Gabriel
Source :
Physical Chemistry Chemical Physics (PCCP); 3/14/2024, Vol. 26 Issue 10, p8089-8093, 5p
Publication Year :
2024

Abstract

In this study, we delved into the structure of B<subscript>5</subscript>H<subscript>5</subscript> 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 B<subscript>5</subscript>H<subscript>5</subscript> isomers, offering insights into the dynamic behavior of these molecules. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
14639076
Volume :
26
Issue :
10
Database :
Complementary Index
Journal :
Physical Chemistry Chemical Physics (PCCP)
Publication Type :
Academic Journal
Accession number :
175877395
Full Text :
https://doi.org/10.1039/d4cp00029c