The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]: From an experimental to a theoretical understanding

Patricio Hermosilla-Ibáñez, Kerry Wrighton-Araneda, Laura Scarpetta-Pizo, Walter Cañón-Mancisidor, Marlen Gutierrez-Cutiño, Verónica Paredes-García, Eric Le Fur, Diego Venegas-Yazigi

Resultado de la investigación: Contribución a una revistaArtículo

Resumen

Mixed-valence polyoxovanadates (POVs) constitute a family of polyoxometalates whose electronic properties are still unclear. Polyoxovanadoborates (POVBs), a subfamily of POVs, show different electronic and magnetic properties compared to those of POVs. Upon the interpretation of the electronic spectra of these compounds, only three bands in the 350-800 nm range were reported in the literature. This is the first theoretical study of the electronic spectra of the [V12B18O60] family, and we showed that these three bands are the contributions of different excitations, i.e., LMCT + IVCT, d-d + IVCT and d-d + IVCT. We showed experimentally that in the NIR region, up to 1800 nm, IVCT transitions appear, whose intensity is dependent on the mixed-valence ratio. We also showed that the condensation of borate groups resulted in the loss of the differentiation of the vanadyl stretching vibration that depends on the oxidation state, which is as expected for other types of polyoxovanadates. This feature was proposed as a probe to observe the delocalized to localized phase transition in POVs.

Idioma originalInglés
Páginas (desde-hasta)17538-17547
Número de páginas10
PublicaciónNew Journal of Chemistry
Volumen43
N.º45
DOI
EstadoPublicada - 1 ene 2019

Áreas temáticas de ASJC Scopus

  • Catálisis
  • Química (todo)
  • Química de los materiales

Huella Profundice en los temas de investigación de 'The origin of the electronic transitions of mixed valence polyoxovanadoborates [V<sub>12</sub>B<sub>18</sub>O<sub>60</sub>]: From an experimental to a theoretical understanding'. En conjunto forman una huella única.

  • Citar esto

    Hermosilla-Ibáñez, P., Wrighton-Araneda, K., Scarpetta-Pizo, L., Cañón-Mancisidor, W., Gutierrez-Cutiño, M., Paredes-García, V., Le Fur, E., & Venegas-Yazigi, D. (2019). The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]: From an experimental to a theoretical understanding. New Journal of Chemistry, 43(45), 17538-17547. https://doi.org/10.1039/c9nj02549a