Predicting Pt-195 NMR Chemical Shift and <sup>1</sup>J(<sup>195</sup>Pt-<sup>31</sup>P) Coupling Constant for Pt(0) Complexes Using the NMR-DKH Basis Sets

Pt(0) complexes have been widely used as catalysts for important reactions, such as the hydrosilylation of olefins. In this context, nuclear magnetic resonance (NMR) spectroscopy plays an important role in characterising of new structures and elucidating reaction mechanisms. In particular, the Pt-19...

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Autores principales: Joyce H. C. e Silva, Hélio F. Dos Santos, Diego F. S. Paschoal
Formato: article
Lenguaje:EN
Publicado: MDPI AG 2021
Materias:
NMR
DFT
Acceso en línea:https://doaj.org/article/df439ef04f8f4324811360b6522c9bba
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