Si6C18: A bispentalene derivative with two planar tetracoordinate carbons

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Date

2023

Document type

Artículo

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Investigación
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Authors

Inostroza, Diego, Leyva Parra, Luis., Yáñez Osses, Osvaldo Andrés., Cruz, J. César, Garza, Jorge, García, Víctor, Thimmakondu, Venkatesan S., Ceron, Maria L., Tiznado, William

Faculty

Facultad de Ingeniería y Negocios

Publisher

Wiley Periodicals, LLC.

URI

http://repositorio.udla.cl/xmlui/handle/udla/1353, https://onlinelibrary.wiley.com/journal/1097461x

DOI

10.1002/qua.27008

Keywords

Chemical bonding analysis, DFT computations, DFT computations, Global minimum, Planar tetracoordinate carbon, Silicon-carbon clusters

Citation

The International Journal of Quantum Chemistry, 123, (1), 9 p.

Extent

9 páginas
2.245Mb

Abstract

Here we show that substituting the ten protons in the dianion of a bispentalene derivative (C18H102−) by six Si2+ dications produces a minimum energy structure with two planar tetracoordinate carbons ...

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