Structured Catalysts and Support for Membrane Reactors

Palma, Vincenzo; Martino, Marco; Ricca, Antonio; Ciambelli, Paolo

doi:10.1002/9781118906842.ch3

Cited by 1 publication

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“…Nitric acid solutions (NASs) containing platinum group metals (PGMs) have significant practical importance. PGM NASs and solid PGM nitrates are useful thermolabile materials for the preparation of heterogeneous PGM‐based catalysts used in, for example, car exhaust gas converters . Due to the lability of NO 3 – ligands, nitrato complexes of PGMs are valuable starting reagents for the synthesis of PGM coordination compounds , .…”

Section: Introductionmentioning

confidence: 99%

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative ¹⁵N NMR and DFT Study

2018

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The accurate prediction of 15N nuclear magnetic resonance (NMR) chemical shifts for three sets of nitrato and mixed‐ligand aquanitrato rhodium (9 complexes), palladium (11 complexes) and platinum (11 complexes) systems was achieved using density functional theory (DFT) calculations employing the GIAO‐PBE0/ADZP(M)∪6‐31+G(d)(E)/PCM (M = Rh, Pd, or Pt, E = main group element) computational protocol. A comparison of δcalcd 15N NMR chemical shifts with δexptl 15N NMR chemical shifts reveals that the DFT calculations correctly predict the division of signals into two groups, the first one involving the PdII, PtII, and RhIII nitrato complexes, and the second the PtIV and PdIV nitrato complexes. Hydrogen bonds and the number of nitrato ligands and their coordination mode remarkably affect the δcalcd 15N chemical shift. Generally, the experimentally observed chemical shifts are found in a sufficiently narrower range for each metal center in comparison to the calculated ones due to an averaging action of the outer‐sphere interactions of complexes with external molecules of water and nitric acid.

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Section: Introductionmentioning

confidence: 99%

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative ¹⁵N NMR and DFT Study

2018

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show abstract

Structured Catalysts and Support for Membrane Reactors

Cited by 1 publication

References 41 publications

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative ¹⁵N NMR and DFT Study

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative ¹⁵N NMR and DFT Study

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Structured Catalysts and Support for Membrane Reactors

Cited by 1 publication

References 41 publications

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative 15N NMR and DFT Study

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative 15N NMR and DFT Study

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Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative ¹⁵N NMR and DFT Study

Aquanitrato Complexes of Palladium, Rhodium, and Platinum: A Comparative ¹⁵N NMR and DFT Study