E6C15 (E = Si–Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons

Diego Inostroza; Luis Leyva-Parra; Alejandro Vásquez-Espinal; Julia Contreras-García; Zhong-Hua Cui; Sudip Pan; Venkatesan S. Thimmakondu; William Tiznado

doi:10.1039/D2CC04915E

E₆C₁₅ (E = Si–Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons†

Diego Inostroza,

^ab Luis Leyva-Parra,

^ab Alejandro Vásquez-Espinal,^c Julia Contreras-García,^d Zhong-Hua Cui,

^ef Sudip Pan,*^g Venkatesan S. Thimmakondu

*^h and William Tiznado

*^a

Author affiliations

* Corresponding authors

^a Computational and Theoretical Chemistry Group, Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, Av. República 275, Santiago, Chile
E-mail: wtiznado@unab.cl

^b Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, Av. República 275, Santiago, Chile

^c Química y Farmacia, Facultad de Ciencias de la Salud, Universidad Arturo Prat, Casilla 121, Iquique 1100000, Chile

^d Sorbonne Universités and CNRS, Laboratoire de Chimie Théorique (LCT), 75005 Paris, France

^e Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, China

^f Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Jilin University, Changchun 130023, China

^g Fachbereich Chemie, Philipps-Universitt Marburg Hans-Meerwein-Straße, 35043 Marburg, Germany
E-mail: pans@chemie.uni-marburg.de

^h Department of Chemistry and Biochemistry, San Diego State University, San Diego, CA, USA
E-mail: vthimmakondusamy@sdsu.edu

Abstract

A systematic exploration of the potential energy surface reveals two global minima with three planar tetra coordinate carbons (ptCs) and two global minima with three quasi-ptCs for E₆C₁₅ (E = Si–Pb) combinations. These consist of aromatic polycyclic templates suitable for further design of different materials without hindering the ptC texture.

This article is part of the themed collection: Chemical Communications HOT Articles 2022

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Article information

DOI: https://doi.org/10.1039/D2CC04915E
Article type: Communication
Submitted: 06 Sep 2022
Accepted: 28 Oct 2022
First published: 31 Oct 2022

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Chem. Commun., 2022,58, 13075-13078

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E₆C₁₅ (E = Si–Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons

D. Inostroza, L. Leyva-Parra, A. Vásquez-Espinal, J. Contreras-García, Z. Cui, S. Pan, V. S. Thimmakondu and W. Tiznado, Chem. Commun., 2022, 58, 13075 DOI: 10.1039/D2CC04915E

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