Nature of hydride and halide encapsulation in Ag8 cages: insights from the structure and interaction energy of [Ag8(X){S2P(OiPr)2}6]+ (X = H−, F−, Cl−, Br−, I−) from relativistic DFT calculations-Reference-Cited by-同舟云学术

Nature of hydride and halide encapsulation in Ag8 cages: insights from the structure and interaction energy of [Ag8(X){S2P(OiPr)2}6]+ (X = H−, F−, Cl−, Br−, I−) from relativistic DFT calculations

Published:2022 Issue:1 Volume:24 Page:452-458
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guajardo Maturana Raul¹^ORCID,Ortolan Alexandre O.²,Rodríguez-Kessler Peter L.³,Caramori Giovanni F.²^ORCID,Parreira Renato L. T.⁴^ORCID,Muñoz-Castro Alvaro³^ORCID

Affiliation:

1. Universidad SEK, Facultad de Ciencias de la Salud, Instituto de Investigación Interdisciplinaren Ciencias Biomédicas SEK (I3CBSEK) Chile, Fernando Manterola 0789, Providencia, Santiago, Chile

2. Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC, 88040-900, Brazil

3. Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux 2801, San Miguel, Santiago, Chile

4. Núcleo de Pesquisa em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, 14404-600, Brazil

Abstract

Unraveling the different contributing terms to an efficient anion encapsulation is a relevant issue for further understanding of the underlying factors governing the formation of endohedral species.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04249A

Reference77 articles.

1. G. F.Caramori and A.Muñoz-Castro , Chemical Reactivity in Confined Systems , Wiley , 2021 , pp. 395–416

2. Prospects and Challenges in Anion Recognition and Transport

3. Advances in Anion Receptor Chemistry

4. P.Gale , W. S.Cho and J. L.Sessler , Anion Receptor Chemistry , Royal Society of Chemistry , Cambridge , 2007

5. Anion receptor chemistry: highlights from 2007

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