An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide

We report a heteroleptic complex [PbCl2(HL′)]·MeOH (1·MeOH), obtained from N′-isonicotinoylpicolinohydrazonamide (HL) and PbCl2, where HL′ is a zwitterionic form of HL with the protonated 4-pyridyl and deprotonated amide nitrogen atoms. All the coordination bonds around the Pb2+ cation are collected...

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Detalles Bibliográficos
Autores: García Santos, María Isabel, Iglesias Pereiro, Tamara, Labisbal Viqueira, María Elena, Castiñeiras Campos, Alfonso, Eftekhari-Sis, Bagher, Mahmoudi, Ghodrat, Sagan, Filip, Mitoraj, Mariusz P., Safin, Damir A.
Tipo de recurso: artículo
Fecha de publicación:2024
País:España
Institución:Universidad de Santiago de Compostela (USC)
Repositorio:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Idioma:inglés
OAI Identifier:oai:minerva.usc.gal:10347/45744
Acceso en línea:https://hdl.handle.net/10347/45744
Access Level:acceso abierto
Palabra clave:Tetrel
Lead complexes
Isonicotinoylpicolinohydrazonamide
Investigación
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spelling An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamideGarcía Santos, María IsabelIglesias Pereiro, TamaraLabisbal Viqueira, María ElenaCastiñeiras Campos, AlfonsoEftekhari-Sis, BagherMahmoudi, GhodratSagan, FilipMitoraj, Mariusz P.Safin, Damir A.TetrelLead complexesIsonicotinoylpicolinohydrazonamideInvestigaciónWe report a heteroleptic complex [PbCl2(HL′)]·MeOH (1·MeOH), obtained from N′-isonicotinoylpicolinohydrazonamide (HL) and PbCl2, where HL′ is a zwitterionic form of HL with the protonated 4-pyridyl and deprotonated amide nitrogen atoms. All the coordination bonds around the Pb2+ cation are collected in one hemisphere, yielding a large space gap, which allows two molecules of 1 to come into close proximity to each other and linked through two Pb⋯Cl tetrel bonds of ∼3.41 Å. As a result, a supramolecular dimeric species [PbCl2(HL′)]2 is formed, which is stabilized by two C–H⋯Pb anagostic and two C–H⋯Cl interactions. The coordination sphere of the Pb2+ cation is completed by the formation of the Pb⋯O tetrel bond with the methanolic oxygen atom. The supramolecular dimeric species are linked through π⋯π(chelate ring) and π⋯π interactions, yielding a 1D supramolecular chain, which is strengthened by N–H⋯Cl hydrogen bonds. These chains are interlinked through a set of hydrogen bonds and weaker interactions. Extensive computational analyses by charge and energy decomposition scheme ETS-NOCV as well as interacting quantum atoms (IQA) allowed us to conclude that most electrostatically dominated noncovalent interactions follow the strength order: Pb⋯O > Pb⋯Cl > N–H⋯Cl > C–H⋯Pb > C–H⋯Cl. Cooperative action of π⋯π and N–H⋯Cl provides an extraordinary dimeric stabilization energy of about −75 kcal mol−1. Finally, an unusual C–H⋯Pb interaction was identified to be attractive despite its long distance (>3.7 Å). Methanol species is found to be engaged not only in Pb⋯O tetrel bonds, but also in hydrogen N–H⋯O bonds and untypical homopolar dihydrogen interactions C–H⋯H–C.Royal Society of ChemistryUniversidade de Santiago de Compostela. Departamento de Química Inorgánica20242024-01-2420242024-01-24journal articlehttp://purl.org/coar/resource_type/c_6501AMhttp://purl.org/coar/version/c_ab4af688f83e57aainfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/10347/45744reponame:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostelainstname:Universidad de Santiago de Compostela (USC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:minerva.usc.gal:10347/457442026-06-15T12:47:27Z
dc.title.none.fl_str_mv An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
title An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
spellingShingle An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
García Santos, María Isabel
Tetrel
Lead complexes
Isonicotinoylpicolinohydrazonamide
Investigación
title_short An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
title_full An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
title_fullStr An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
title_full_unstemmed An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
title_sort An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide
dc.creator.none.fl_str_mv García Santos, María Isabel
Iglesias Pereiro, Tamara
Labisbal Viqueira, María Elena
Castiñeiras Campos, Alfonso
Eftekhari-Sis, Bagher
Mahmoudi, Ghodrat
Sagan, Filip
Mitoraj, Mariusz P.
Safin, Damir A.
author García Santos, María Isabel
author_facet García Santos, María Isabel
Iglesias Pereiro, Tamara
Labisbal Viqueira, María Elena
Castiñeiras Campos, Alfonso
Eftekhari-Sis, Bagher
Mahmoudi, Ghodrat
Sagan, Filip
Mitoraj, Mariusz P.
Safin, Damir A.
author_role author
author2 Iglesias Pereiro, Tamara
Labisbal Viqueira, María Elena
Castiñeiras Campos, Alfonso
Eftekhari-Sis, Bagher
Mahmoudi, Ghodrat
Sagan, Filip
Mitoraj, Mariusz P.
Safin, Damir A.
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade de Santiago de Compostela. Departamento de Química Inorgánica
dc.subject.none.fl_str_mv Tetrel
Lead complexes
Isonicotinoylpicolinohydrazonamide
Investigación
topic Tetrel
Lead complexes
Isonicotinoylpicolinohydrazonamide
Investigación
description We report a heteroleptic complex [PbCl2(HL′)]·MeOH (1·MeOH), obtained from N′-isonicotinoylpicolinohydrazonamide (HL) and PbCl2, where HL′ is a zwitterionic form of HL with the protonated 4-pyridyl and deprotonated amide nitrogen atoms. All the coordination bonds around the Pb2+ cation are collected in one hemisphere, yielding a large space gap, which allows two molecules of 1 to come into close proximity to each other and linked through two Pb⋯Cl tetrel bonds of ∼3.41 Å. As a result, a supramolecular dimeric species [PbCl2(HL′)]2 is formed, which is stabilized by two C–H⋯Pb anagostic and two C–H⋯Cl interactions. The coordination sphere of the Pb2+ cation is completed by the formation of the Pb⋯O tetrel bond with the methanolic oxygen atom. The supramolecular dimeric species are linked through π⋯π(chelate ring) and π⋯π interactions, yielding a 1D supramolecular chain, which is strengthened by N–H⋯Cl hydrogen bonds. These chains are interlinked through a set of hydrogen bonds and weaker interactions. Extensive computational analyses by charge and energy decomposition scheme ETS-NOCV as well as interacting quantum atoms (IQA) allowed us to conclude that most electrostatically dominated noncovalent interactions follow the strength order: Pb⋯O > Pb⋯Cl > N–H⋯Cl > C–H⋯Pb > C–H⋯Cl. Cooperative action of π⋯π and N–H⋯Cl provides an extraordinary dimeric stabilization energy of about −75 kcal mol−1. Finally, an unusual C–H⋯Pb interaction was identified to be attractive despite its long distance (>3.7 Å). Methanol species is found to be engaged not only in Pb⋯O tetrel bonds, but also in hydrogen N–H⋯O bonds and untypical homopolar dihydrogen interactions C–H⋯H–C.
publishDate 2024
dc.date.none.fl_str_mv 2024
2024-01-24
2024
2024-01-24
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
AM
http://purl.org/coar/version/c_ab4af688f83e57aa
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/10347/45744
url https://hdl.handle.net/10347/45744
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname:Universidad de Santiago de Compostela (USC)
instname_str Universidad de Santiago de Compostela (USC)
reponame_str Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
collection Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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