Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry

The cationic complex [Ni(neoc)2(NO3)]+ with NO3− (1), TCNQ− (3), or (TCNQ-TCNQ)2− (4) as counterions, and the neutral complex [Ni(neoc)([NO3]−-κ1O)([NO3]−-κ2O,O´)(H2O)] (2) can be obtained from different reactions involving Ni(II), neoc, NO3− and TCNQ. The molecular and extended crystal structure of...

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Autores: Šterbinská, Slavomíra, Smolko, Richard, Cernák, Juraj, Dušek, Michal, Falvello, Larry R., Tomás, Milagros
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Universidad de Zaragoza
Repositorio:Zaguán. Repositorio Digital de la Universidad de Zaragoza
OAI Identifier:oai:zaguan.unizar.es:132462
Acceso en línea:http://zaguan.unizar.es/record/132462
Access Level:acceso abierto
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spelling Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistryŠterbinská, SlavomíraSmolko, RichardCernák, JurajDušek, MichalFalvello, Larry R.Tomás, MilagrosThe cationic complex [Ni(neoc)2(NO3)]+ with NO3− (1), TCNQ− (3), or (TCNQ-TCNQ)2− (4) as counterions, and the neutral complex [Ni(neoc)([NO3]−-κ1O)([NO3]−-κ2O,O´)(H2O)] (2) can be obtained from different reactions involving Ni(II), neoc, NO3− and TCNQ. The molecular and extended crystal structure of compound 2, which displays two different coordination modes for NO3−, are compared to those of the analogous Mn, Fe and Co compounds, revealing a correlation between the coordination geometry of the nominally monodentate nitrato ligand and the covalent radius of the central metal atom. Despite the differences in molecular geometry, the extended structures of the Ni (2) and Mn compounds are similar to each other but different from those of the Fe and Co complexes, which are similar to each other. Complex 1 was further used in the preparation of a new heterospin compound [Ni(neoc)2(NO3)](TCNQ) (3), having an ionic structure with the same complex cation present in 1, accompanied by centrosymmetric anion-radicals (ARs) TCNQ•−. Through a different preparation process, complex 4, with the formula [Ni(neoc)2(NO3)]2(TCNQ-TCNQ), containing the same complex cation as in complexes 1 and 3, but now with the centrosymmetric σ-dimerized dianion (TCNQ-TCNQ)2− has been obtained. The influence of NO3−, TCNQ•− and TCNQ-TCNQ2− anions on the crystal structure of the cation [Ni(neoc)2(NO3)]+ in the compounds has been studied. All of the complexes reported here have supramolecular structures governed by hydrogen bonding systems, adding to their stability.2024info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://zaguan.unizar.es/record/132462reponame:Zaguán. Repositorio Digital de la Universidad de Zaragozainstname:Universidad de ZaragozaInglésinfo:eu-repo/grantAgreement/ES/DGA/E11-20Rinfo:eu-repo/grantAgreement/ES/MICINN/PID2021-124880NB-I00info:eu-repo/semantics/openAccessoai:zaguan.unizar.es:1324622026-05-29T13:59:51Z
dc.title.none.fl_str_mv Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
title Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
spellingShingle Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
Šterbinská, Slavomíra
title_short Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
title_full Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
title_fullStr Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
title_full_unstemmed Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
title_sort Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
dc.creator.none.fl_str_mv Šterbinská, Slavomíra
Smolko, Richard
Cernák, Juraj
Dušek, Michal
Falvello, Larry R.
Tomás, Milagros
author Šterbinská, Slavomíra
author_facet Šterbinská, Slavomíra
Smolko, Richard
Cernák, Juraj
Dušek, Michal
Falvello, Larry R.
Tomás, Milagros
author_role author
author2 Smolko, Richard
Cernák, Juraj
Dušek, Michal
Falvello, Larry R.
Tomás, Milagros
author2_role author
author
author
author
author
description The cationic complex [Ni(neoc)2(NO3)]+ with NO3− (1), TCNQ− (3), or (TCNQ-TCNQ)2− (4) as counterions, and the neutral complex [Ni(neoc)([NO3]−-κ1O)([NO3]−-κ2O,O´)(H2O)] (2) can be obtained from different reactions involving Ni(II), neoc, NO3− and TCNQ. The molecular and extended crystal structure of compound 2, which displays two different coordination modes for NO3−, are compared to those of the analogous Mn, Fe and Co compounds, revealing a correlation between the coordination geometry of the nominally monodentate nitrato ligand and the covalent radius of the central metal atom. Despite the differences in molecular geometry, the extended structures of the Ni (2) and Mn compounds are similar to each other but different from those of the Fe and Co complexes, which are similar to each other. Complex 1 was further used in the preparation of a new heterospin compound [Ni(neoc)2(NO3)](TCNQ) (3), having an ionic structure with the same complex cation present in 1, accompanied by centrosymmetric anion-radicals (ARs) TCNQ•−. Through a different preparation process, complex 4, with the formula [Ni(neoc)2(NO3)]2(TCNQ-TCNQ), containing the same complex cation as in complexes 1 and 3, but now with the centrosymmetric σ-dimerized dianion (TCNQ-TCNQ)2− has been obtained. The influence of NO3−, TCNQ•− and TCNQ-TCNQ2− anions on the crystal structure of the cation [Ni(neoc)2(NO3)]+ in the compounds has been studied. All of the complexes reported here have supramolecular structures governed by hydrogen bonding systems, adding to their stability.
publishDate 2024
dc.date.none.fl_str_mv 2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://zaguan.unizar.es/record/132462
url http://zaguan.unizar.es/record/132462
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/grantAgreement/ES/DGA/E11-20R
info:eu-repo/grantAgreement/ES/MICINN/PID2021-124880NB-I00
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
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publisher.none.fl_str_mv
dc.source.none.fl_str_mv reponame:Zaguán. Repositorio Digital de la Universidad de Zaragoza
instname:Universidad de Zaragoza
instname_str Universidad de Zaragoza
reponame_str Zaguán. Repositorio Digital de la Universidad de Zaragoza
collection Zaguán. Repositorio Digital de la Universidad de Zaragoza
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