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Tungsten and Molybdenum Heteropolyanions with Different Central Ions—Correlation between Theory and Experiment
Density functional theory calculations were carried out to investigate the electronic structures of Keggin-typed [XMo(12)O(40)](n−) and [XW(12)O(40)](n−) anions with different heteroatoms (X = Zn(2+), B(3+), Al(3+), Ga(3+), Si(4+), Ge(4+), P(5+), As(5+), and S(6+)). The influence of solvent on redox...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8747034/ https://www.ncbi.nlm.nih.gov/pubmed/35011418 http://dx.doi.org/10.3390/molecules27010187 |