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.
Saved in:
| Title: | Nature of hydride and halide encapsulation in Ag |
|---|---|
| Authors: | Guajardo Maturana R; Universidad SEK, Facultad de Ciencias de la Salud, Instituto de Investigación Interdisciplinaren Ciencias Biomédicas SEK (I3CBSEK) Chile, Fernando Manterola 0789, Providencia, Santiago, Chile., Ortolan AO; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC, 88040-900, Brazil. giovanni.caramori@ufsc.br., Rodríguez-Kessler PL; Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux 2801, San Miguel, Santiago, Chile. alvaro.munoz@uautonoma.cl., Caramori GF; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC, 88040-900, Brazil. giovanni.caramori@ufsc.br., Parreira RLT; Núcleo de Pesquisa em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, 14404-600, Brazil. renato.parreira@unifran.edu.br., Muñoz-Castro A; Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux 2801, San Miguel, Santiago, Chile. alvaro.munoz@uautonoma.cl. |
| Source: | Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2021 Dec 22; Vol. 24 (1), pp. 452-458. Date of Electronic Publication: 2021 Dec 22. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
|---|---|
| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 34897316 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Nature of hydride and halide encapsulation in Ag<subscript>8</subscript> cages: insights from the structure and interaction energy of [Ag<subscript>8</subscript>(X){S<subscript>2</subscript>P(O<superscript>i</superscript>Pr)<subscript>2</subscript>}<subscript>6</subscript>]<superscript>+</superscript> (X = H<superscript>-</superscript>, F<superscript>-</superscript>, Cl<superscript>-</superscript>, Br<superscript>-</superscript>, I<superscript>-</superscript>) from relativistic DFT calculations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Guajardo+Maturana+R%22">Guajardo Maturana R</searchLink>; Universidad SEK, Facultad de Ciencias de la Salud, Instituto de Investigación Interdisciplinaren Ciencias Biomédicas SEK (I3CBSEK) Chile, Fernando Manterola 0789, Providencia, Santiago, Chile.<br /><searchLink fieldCode="AU" term="%22Ortolan+AO%22">Ortolan AO</searchLink>; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC, 88040-900, Brazil. giovanni.caramori@ufsc.br.<br /><searchLink fieldCode="AU" term="%22Rodríguez-Kessler+PL%22">Rodríguez-Kessler PL</searchLink>; Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux 2801, San Miguel, Santiago, Chile. alvaro.munoz@uautonoma.cl.<br /><searchLink fieldCode="AU" term="%22Caramori+GF%22">Caramori GF</searchLink>; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC, 88040-900, Brazil. giovanni.caramori@ufsc.br.<br /><searchLink fieldCode="AU" term="%22Parreira+RLT%22">Parreira RLT</searchLink>; Núcleo de Pesquisa em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, 14404-600, Brazil. renato.parreira@unifran.edu.br.<br /><searchLink fieldCode="AU" term="%22Muñoz-Castro+A%22">Muñoz-Castro A</searchLink>; Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux 2801, San Miguel, Santiago, Chile. alvaro.munoz@uautonoma.cl. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2021 Dec 22; Vol. 24 (1), pp. 452-458. <i>Date of Electronic Publication: </i>2021 Dec 22. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=34897316 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1039/d1cp04249a Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 452 Titles: – TitleFull: 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. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Guajardo Maturana R – PersonEntity: Name: NameFull: Ortolan AO – PersonEntity: Name: NameFull: Rodríguez-Kessler PL – PersonEntity: Name: NameFull: Caramori GF – PersonEntity: Name: NameFull: Parreira RLT – PersonEntity: Name: NameFull: Muñoz-Castro A IsPartOfRelationships: – BibEntity: Dates: – D: 22 M: 12 Text: 2021 Dec 22 Type: published Y: 2021 Identifiers: – Type: issn-electronic Value: 1463-9084 Numbering: – Type: volume Value: 24 – Type: issue Value: 1 Titles: – TitleFull: Physical chemistry chemical physics : PCCP Type: main |
| ResultId | 1 |
