| Autor: |
Rabbani SMG; Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069, United States., Achazi AJ; Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069, United States., Miró P; Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069, United States. |
| Jazyk: |
angličtina |
| Zdroj: |
Inorganic chemistry [Inorg Chem] 2021 May 17; Vol. 60 (10), pp. 7262-7268. Date of Electronic Publication: 2021 Apr 23. |
| DOI: |
10.1021/acs.inorgchem.1c00337 |
| Abstrakt: |
The synthesis of novel tunable electroactive species remains a key challenge for a wide range of chemical applications such as redox catalysis, energy storage, and optoelectronics. In recent years, polyoxovanadate (POV) alkoxide clusters have emerged as a new class of compounds with highly promising electrochemical applications. However, our knowledge of the formation pathways of POV alkoxides is rather limited. Understanding the speciation of POV alkoxides is fundamental for controlling and manipulating the evolution of transient species during their nucleation and therefore tuning the properties of the final product. Here, we present a computational study of the nucleation pathways of a mixed-valent [(V V 6- n V IV n O 6 )(O)(O-CH 3 ) 12 ] (4- n )+ POV alkoxide cluster in the absence of reducing agents other than methanol. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
|
