Is σ-hole an electronic exchange channel in YX⋯CO interactions?

A theoretical study of linear YX⋯CO complexes (in which YX are diatomic interhalogens or hydrogen halide) has been performed to high-level quantum chemical calculations. Calculations show that at the equilibrium geometry, the stabilizing effect that arises from the Pauli exclusion principle is mor...

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Detalles Bibliográficos
Autores principales:	Duarte, Darío Jorge Roberto, Buralli, Gabriel Jesús, Peruchena, Nélida María
Formato:	Artículo
Lenguaje:	Inglés
Publicado:	Elsevier Science 2021
Materias:	Energy decomposition analysis Lewis acid base interactions Halogen bond
Acceso en línea:	http://repositorio.unne.edu.ar/handle/123456789/27922
Aporte de:	RIUNNE - Repositorio Institucional de la Universidad Nacional del Nordeste (UNNE) de Universidad Nacional del Nordeste

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