New NMR investigation of [RuF₅NO]²⁻ anion
- Autores
- Castañeda Trujillo, Lady Diana; Jios, Jorge Luis; Franca, Carlos Alberto; Güida, Jorge Alberto
- Año de publicación
- 2018
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The ¹⁵N shift value is the main distinctive parameter to distinguish linear than angular MNO in transition metal nitrosyls by NMR spectroscopy. To get insight into the spectroscopic properties of a simple ruthenium-nitrosyl complex, the [RuF5NO]²⁻ anion, was reinvestigated. Their ¹⁵N and ¹⁹F nuclear magnetic resonance spectra (NMR) were analyzed and compared with the behavior observed for the geometrically related (C₄ᵥ) [Fe(CN)₅NO]²⁻ (¹⁵N and ¹³C enriched) ion. The different splitting and coupling constants observed in both systems were attributed to the small change in angles and atomic distances. These results highlight the sensitivity of this spectroscopy to detect small geometrical distortion in transition metal complexes. DFT calculations predicted for both systems, shifts and coupling constant values in good agreement with the experimental results. The chemical shifts and coupling constants parameters predicted by DFT calculations for both systems are in good agreement with experimental values.
Centro de Química Inorgánica
Planta Piloto Multipropósito - Laboratorio de Servicios a la Industria y al Sistema Científico
Facultad de Ingeniería - Materia
-
Ciencias Exactas
Química
¹⁹F, ¹⁵N NMR
[RuF₅NO]²⁻
DFT Calculations
Ruthenium nitrosyl - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by/4.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/151514
Ver los metadatos del registro completo
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New NMR investigation of [RuF₅NO]²⁻ anionCastañeda Trujillo, Lady DianaJios, Jorge LuisFranca, Carlos AlbertoGüida, Jorge AlbertoCiencias ExactasQuímica¹⁹F, ¹⁵N NMR[RuF₅NO]²⁻DFT CalculationsRuthenium nitrosylThe ¹⁵N shift value is the main distinctive parameter to distinguish linear than angular MNO in transition metal nitrosyls by NMR spectroscopy. To get insight into the spectroscopic properties of a simple ruthenium-nitrosyl complex, the [RuF5NO]²⁻ anion, was reinvestigated. Their ¹⁵N and ¹⁹F nuclear magnetic resonance spectra (NMR) were analyzed and compared with the behavior observed for the geometrically related (C₄ᵥ) [Fe(CN)₅NO]²⁻ (¹⁵N and ¹³C enriched) ion. The different splitting and coupling constants observed in both systems were attributed to the small change in angles and atomic distances. These results highlight the sensitivity of this spectroscopy to detect small geometrical distortion in transition metal complexes. DFT calculations predicted for both systems, shifts and coupling constant values in good agreement with the experimental results. The chemical shifts and coupling constants parameters predicted by DFT calculations for both systems are in good agreement with experimental values.Centro de Química InorgánicaPlanta Piloto Multipropósito - Laboratorio de Servicios a la Industria y al Sistema CientíficoFacultad de Ingeniería2018-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf130-134http://sedici.unlp.edu.ar/handle/10915/151514enginfo:eu-repo/semantics/altIdentifier/issn/0020-1693info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ica.2018.03.010info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:39:02Zoai:sedici.unlp.edu.ar:10915/151514Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:39:02.668SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
New NMR investigation of [RuF₅NO]²⁻ anion |
| title |
New NMR investigation of [RuF₅NO]²⁻ anion |
| spellingShingle |
New NMR investigation of [RuF₅NO]²⁻ anion Castañeda Trujillo, Lady Diana Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl |
| title_short |
New NMR investigation of [RuF₅NO]²⁻ anion |
| title_full |
New NMR investigation of [RuF₅NO]²⁻ anion |
| title_fullStr |
New NMR investigation of [RuF₅NO]²⁻ anion |
| title_full_unstemmed |
New NMR investigation of [RuF₅NO]²⁻ anion |
| title_sort |
New NMR investigation of [RuF₅NO]²⁻ anion |
| dc.creator.none.fl_str_mv |
Castañeda Trujillo, Lady Diana Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto |
| author |
Castañeda Trujillo, Lady Diana |
| author_facet |
Castañeda Trujillo, Lady Diana Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto |
| author_role |
author |
| author2 |
Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto |
| author2_role |
author author author |
| dc.subject.none.fl_str_mv |
Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl |
| topic |
Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl |
| dc.description.none.fl_txt_mv |
The ¹⁵N shift value is the main distinctive parameter to distinguish linear than angular MNO in transition metal nitrosyls by NMR spectroscopy. To get insight into the spectroscopic properties of a simple ruthenium-nitrosyl complex, the [RuF5NO]²⁻ anion, was reinvestigated. Their ¹⁵N and ¹⁹F nuclear magnetic resonance spectra (NMR) were analyzed and compared with the behavior observed for the geometrically related (C₄ᵥ) [Fe(CN)₅NO]²⁻ (¹⁵N and ¹³C enriched) ion. The different splitting and coupling constants observed in both systems were attributed to the small change in angles and atomic distances. These results highlight the sensitivity of this spectroscopy to detect small geometrical distortion in transition metal complexes. DFT calculations predicted for both systems, shifts and coupling constant values in good agreement with the experimental results. The chemical shifts and coupling constants parameters predicted by DFT calculations for both systems are in good agreement with experimental values. Centro de Química Inorgánica Planta Piloto Multipropósito - Laboratorio de Servicios a la Industria y al Sistema Científico Facultad de Ingeniería |
| description |
The ¹⁵N shift value is the main distinctive parameter to distinguish linear than angular MNO in transition metal nitrosyls by NMR spectroscopy. To get insight into the spectroscopic properties of a simple ruthenium-nitrosyl complex, the [RuF5NO]²⁻ anion, was reinvestigated. Their ¹⁵N and ¹⁹F nuclear magnetic resonance spectra (NMR) were analyzed and compared with the behavior observed for the geometrically related (C₄ᵥ) [Fe(CN)₅NO]²⁻ (¹⁵N and ¹³C enriched) ion. The different splitting and coupling constants observed in both systems were attributed to the small change in angles and atomic distances. These results highlight the sensitivity of this spectroscopy to detect small geometrical distortion in transition metal complexes. DFT calculations predicted for both systems, shifts and coupling constant values in good agreement with the experimental results. The chemical shifts and coupling constants parameters predicted by DFT calculations for both systems are in good agreement with experimental values. |
| publishDate |
2018 |
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2018-05 |
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info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
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publishedVersion |
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http://sedici.unlp.edu.ar/handle/10915/151514 |
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eng |
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eng |
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