Mapping the Basicity of Selected 3d and 4d Metal Nitrides: A DFT Study

Nitride complexes have been invoked as catalysts and intermediates in a wide variety of transformations and are noted for their tunable acid/base properties. A density functional theory study is reported herein that maps the basicity of 3d and 4d transition metals that routinely form nitride complex...

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Veröffentlicht in:Inorganic chemistry 2022-12, Vol.61 (48), p.19049-19057
Hauptverfasser: Alharbi, Waad S., Cundari, Thomas R.
Format: Artikel
Sprache:eng
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