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

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

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.

Original language	English
Pages (from-to)	13075-13078
Number of pages	4
Journal	Chemical Communications
Volume	58
Issue number	94
DOIs	https://doi.org/10.1039/d2cc04915e
State	Published - 31 Oct 2022
Externally published	Yes

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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.",

author = "Diego Inostroza and Luis Leyva-Parra and Alejandro V{\'a}squez-Espinal and Julia Contreras-Garc{\'i}a and Cui, {Zhong Hua} and Sudip Pan and Thimmakondu, {Venkatesan S.} and William Tiznado",

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T1 - E6C15 (E = Si-Pb)

T2 - polycyclic aromatic compounds with three planar tetracoordinate carbons

AU - Inostroza, Diego

AU - Leyva-Parra, Luis

AU - Vásquez-Espinal, Alejandro

AU - Contreras-García, Julia

AU - Cui, Zhong Hua

AU - Pan, Sudip

AU - Thimmakondu, Venkatesan S.

AU - Tiznado, William

PY - 2022/10/31

Y1 - 2022/10/31

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85142220296&partnerID=8YFLogxK

U2 - 10.1039/d2cc04915e

DO - 10.1039/d2cc04915e

M3 - Article

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AN - SCOPUS:85142220296

SN - 1359-7345

VL - 58

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EP - 13078

JO - Chemical Communications

JF - Chemical Communications

IS - 94

ER -

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

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