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Updated: Feb 8, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
E5 M7+ (E=C-Pb, M=Li-Cs): A Source of Viable Star-Shaped Clusters
Alejandro Vásquez-Espinal1, Karen Palacio-Rodríguez2, Estefanía Ravell1
1Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida, Km 6 Antigua carretera a Progreso, Apdo. Postal 73, Cordemex, 97310, Mérida, Yuc., México.
Abstract:
Herein we report the systematic exploration of the potential energy surfaces of a series of clusters with formula E5 M7+ (E=C-Pb and M=Li-Cs). Fifteen of these combinations adopt a D5h three-dimensional seven-pointed star-like structure in a singlet state, where M atoms interact electrostatically with the E5 ring. The determining factors in the relative preference of having the D5h structure over the most competitive isomer or vice-versa are analyzed. These star-shaped systems satisfy the 4n+2 Hückel's rule and exhibit a strong diatropic (σ and π) response to an external magnetic field.
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