Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry

Autores
Piro, Oscar Enrique; Echeverría, Gustavo Alberto; Navaza, Alda; Guida, Jorge Alberto
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Potassium pentacyanonitrosylchromate(I) dihydrate salt, K3[Cr(CN)5NO].2H2O, forms spontaneously from aqueous solution below about 15 °C while the anhydrous salt is obtained above 20 °C. The molecular structure of the dihydrate has been determined by X-ray diffraction, taking full advantage of modern data collection, advanced space group and structure solution and refinement. It crystallizes in the monoclinic space group Cc, is isomorphic to the Mn(I) analog, and shows the pseudo-symmetry of space super-group C2/c. The [Cr(CN)5NO]3− ion has an umbrella-like conformation with the equatorial Cr-CN bonds slightly bent away from the Cr-NO link. The crystallographic study fills a gap left in the literature on accurate structural data for alkaline and alkaline-earth salts of [M(CN)5NO]n- (M = V, Cr, Mn, Fe) series of coordination compounds. We also report here the solid-state vibration structure of the new compound, as probed by IR and Raman spectroscopy. Water mode assignments were assisted through deuterium enrichment. The thermal dehydration behavior complements structural and spectroscopic information on water molecules.
Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina. Universidad de la Cuenca del Plata. Facultad de Ingeniería. Departamento de Ciencias Basicas; Argentina
Fil: Navaza, Alda. Universite de Paris 13-Nord; Francia
Fil: Guida, Jorge Alberto. Universidad de la Cuenca del Plata. Facultad de Ingeniería. Departamento de Ciencias Basicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Universidad Nacional de Luján; Argentina
Materia
INFRARED AND RAMAN SPECTROSCOPY
SINGLE CRYSTAL X-RAY DIFFRACTION
TGA AND DTA THERMAL ANALYSIS
TRANSITION METAL NITROSYLS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/145271
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistryPiro, Oscar EnriqueEcheverría, Gustavo AlbertoNavaza, AldaGuida, Jorge AlbertoINFRARED AND RAMAN SPECTROSCOPYSINGLE CRYSTAL X-RAY DIFFRACTIONTGA AND DTA THERMAL ANALYSISTRANSITION METAL NITROSYLShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Potassium pentacyanonitrosylchromate(I) dihydrate salt, K3[Cr(CN)5NO].2H2O, forms spontaneously from aqueous solution below about 15 °C while the anhydrous salt is obtained above 20 °C. The molecular structure of the dihydrate has been determined by X-ray diffraction, taking full advantage of modern data collection, advanced space group and structure solution and refinement. It crystallizes in the monoclinic space group Cc, is isomorphic to the Mn(I) analog, and shows the pseudo-symmetry of space super-group C2/c. The [Cr(CN)5NO]3− ion has an umbrella-like conformation with the equatorial Cr-CN bonds slightly bent away from the Cr-NO link. The crystallographic study fills a gap left in the literature on accurate structural data for alkaline and alkaline-earth salts of [M(CN)5NO]n- (M = V, Cr, Mn, Fe) series of coordination compounds. We also report here the solid-state vibration structure of the new compound, as probed by IR and Raman spectroscopy. Water mode assignments were assisted through deuterium enrichment. The thermal dehydration behavior complements structural and spectroscopic information on water molecules.Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina. Universidad de la Cuenca del Plata. Facultad de Ingeniería. Departamento de Ciencias Basicas; ArgentinaFil: Navaza, Alda. Universite de Paris 13-Nord; FranciaFil: Guida, Jorge Alberto. Universidad de la Cuenca del Plata. Facultad de Ingeniería. Departamento de Ciencias Basicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Universidad Nacional de Luján; ArgentinaElsevier Science SA2020-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/145271Piro, Oscar Enrique; Echeverría, Gustavo Alberto; Navaza, Alda; Guida, Jorge Alberto; Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry; Elsevier Science SA; Inorganica Chimica Acta; 511; 119831; 6-2020; 1-270020-1693CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.ica.2020.119831info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0020169320310306info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:02:03Zoai:ri.conicet.gov.ar:11336/145271instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:02:03.953CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
title Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
spellingShingle Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
Piro, Oscar Enrique
INFRARED AND RAMAN SPECTROSCOPY
SINGLE CRYSTAL X-RAY DIFFRACTION
TGA AND DTA THERMAL ANALYSIS
TRANSITION METAL NITROSYLS
title_short Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
title_full Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
title_fullStr Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
title_full_unstemmed Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
title_sort Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
dc.creator.none.fl_str_mv Piro, Oscar Enrique
Echeverría, Gustavo Alberto
Navaza, Alda
Guida, Jorge Alberto
author Piro, Oscar Enrique
author_facet Piro, Oscar Enrique
Echeverría, Gustavo Alberto
Navaza, Alda
Guida, Jorge Alberto
author_role author
author2 Echeverría, Gustavo Alberto
Navaza, Alda
Guida, Jorge Alberto
author2_role author
author
author
dc.subject.none.fl_str_mv INFRARED AND RAMAN SPECTROSCOPY
SINGLE CRYSTAL X-RAY DIFFRACTION
TGA AND DTA THERMAL ANALYSIS
TRANSITION METAL NITROSYLS
topic INFRARED AND RAMAN SPECTROSCOPY
SINGLE CRYSTAL X-RAY DIFFRACTION
TGA AND DTA THERMAL ANALYSIS
TRANSITION METAL NITROSYLS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Potassium pentacyanonitrosylchromate(I) dihydrate salt, K3[Cr(CN)5NO].2H2O, forms spontaneously from aqueous solution below about 15 °C while the anhydrous salt is obtained above 20 °C. The molecular structure of the dihydrate has been determined by X-ray diffraction, taking full advantage of modern data collection, advanced space group and structure solution and refinement. It crystallizes in the monoclinic space group Cc, is isomorphic to the Mn(I) analog, and shows the pseudo-symmetry of space super-group C2/c. The [Cr(CN)5NO]3− ion has an umbrella-like conformation with the equatorial Cr-CN bonds slightly bent away from the Cr-NO link. The crystallographic study fills a gap left in the literature on accurate structural data for alkaline and alkaline-earth salts of [M(CN)5NO]n- (M = V, Cr, Mn, Fe) series of coordination compounds. We also report here the solid-state vibration structure of the new compound, as probed by IR and Raman spectroscopy. Water mode assignments were assisted through deuterium enrichment. The thermal dehydration behavior complements structural and spectroscopic information on water molecules.
Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina. Universidad de la Cuenca del Plata. Facultad de Ingeniería. Departamento de Ciencias Basicas; Argentina
Fil: Navaza, Alda. Universite de Paris 13-Nord; Francia
Fil: Guida, Jorge Alberto. Universidad de la Cuenca del Plata. Facultad de Ingeniería. Departamento de Ciencias Basicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Universidad Nacional de Luján; Argentina
description Potassium pentacyanonitrosylchromate(I) dihydrate salt, K3[Cr(CN)5NO].2H2O, forms spontaneously from aqueous solution below about 15 °C while the anhydrous salt is obtained above 20 °C. The molecular structure of the dihydrate has been determined by X-ray diffraction, taking full advantage of modern data collection, advanced space group and structure solution and refinement. It crystallizes in the monoclinic space group Cc, is isomorphic to the Mn(I) analog, and shows the pseudo-symmetry of space super-group C2/c. The [Cr(CN)5NO]3− ion has an umbrella-like conformation with the equatorial Cr-CN bonds slightly bent away from the Cr-NO link. The crystallographic study fills a gap left in the literature on accurate structural data for alkaline and alkaline-earth salts of [M(CN)5NO]n- (M = V, Cr, Mn, Fe) series of coordination compounds. We also report here the solid-state vibration structure of the new compound, as probed by IR and Raman spectroscopy. Water mode assignments were assisted through deuterium enrichment. The thermal dehydration behavior complements structural and spectroscopic information on water molecules.
publishDate 2020
dc.date.none.fl_str_mv 2020-06
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/145271
Piro, Oscar Enrique; Echeverría, Gustavo Alberto; Navaza, Alda; Guida, Jorge Alberto; Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry; Elsevier Science SA; Inorganica Chimica Acta; 511; 119831; 6-2020; 1-27
0020-1693
CONICET Digital
CONICET
url http://hdl.handle.net/11336/145271
identifier_str_mv Piro, Oscar Enrique; Echeverría, Gustavo Alberto; Navaza, Alda; Guida, Jorge Alberto; Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry; Elsevier Science SA; Inorganica Chimica Acta; 511; 119831; 6-2020; 1-27
0020-1693
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ica.2020.119831
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0020169320310306
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science SA
publisher.none.fl_str_mv Elsevier Science SA
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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