New NMR investigation of [RuF₅NO]²⁻ anion
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...
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2018
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| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/151514 |
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I19-R120-10915-1515142023-04-15T04:06:23Z http://sedici.unlp.edu.ar/handle/10915/151514 issn:0020-1693 New NMR investigation of [RuF₅NO]²⁻ anion Castañeda Trujillo, Lady Diana Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto 2018-05 2023-04-14T18:30:03Z en Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl 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 Articulo Articulo http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) application/pdf 130-134 |
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Universidad Nacional de La Plata |
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I-19 |
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R-120 |
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SEDICI (UNLP) |
| language |
Inglés |
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Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl |
| spellingShingle |
Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl Castañeda Trujillo, Lady Diana Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto New NMR investigation of [RuF₅NO]²⁻ anion |
| topic_facet |
Ciencias Exactas Química ¹⁹F, ¹⁵N NMR [RuF₅NO]²⁻ DFT Calculations Ruthenium nitrosyl |
| 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. |
| format |
Articulo Articulo |
| author |
Castañeda Trujillo, Lady Diana Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto |
| author_facet |
Castañeda Trujillo, Lady Diana Jios, Jorge Luis Franca, Carlos Alberto Güida, Jorge Alberto |
| author_sort |
Castañeda Trujillo, Lady Diana |
| title |
New NMR investigation of [RuF₅NO]²⁻ anion |
| 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 |
| publishDate |
2018 |
| url |
http://sedici.unlp.edu.ar/handle/10915/151514 |
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AT castanedatrujilloladydiana newnmrinvestigationofruf5no2anion AT jiosjorgeluis newnmrinvestigationofruf5no2anion AT francacarlosalberto newnmrinvestigationofruf5no2anion AT guidajorgealberto newnmrinvestigationofruf5no2anion |
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