Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 27, 2018
Previous Article Next Article

31P and 195Pt solid-state NMR and DFT studies on platinum(i) and platinum(ii) complexes

Author affiliations

Abstract

31P and 195Pt solid state NMR spectra of anti-[(PHCy)ClPt(μ-PCy2)2Pt(PHCy)Cl] (3) and [(PHCy2)Pt(μ-PCy2)(κ2P,O-μ-POCy2)Pt(PHCy2)] (Pt–Pt) (4) were recorded under cross polarization/magic-angle spinning conditions (31P) or with the cross polarization/Carr–Purcell–Meiboom–Gill pulse sequence (195Pt) and compared to the data obtained by relativistic DFT calculations of 31P and 195Pt CS tensors and isotropic shielding at the ZORA spin–orbit level. A good agreement with the experimental results was found and it was possible to rationalize the chemical shift differences of 195Pt and 31P nuclei between compounds 3 and 4 as mostly due to a change (in opposite directions for 195Pt and 31P) of the principal component of the shielding tensor perpendicular to the molecular plane defined by the Pt and P atoms. Paramagnetic and spin–orbit terms were found to be the most important contributions to 195Pt and 31P shielding.

Graphical abstract: 31P and 195Pt solid-state NMR and DFT studies on platinum(i) and platinum(ii) complexes

Back to tab navigation

Article information


Submitted
19 Apr 2018
Accepted
11 May 2018
First published
14 May 2018

Dalton Trans., 2018,47, 8884-8891
Article type
Paper

31P and 195Pt solid-state NMR and DFT studies on platinum(I) and platinum(II) complexes

S. Todisco, G. Saielli, V. Gallo, M. Latronico, A. Rizzuti and P. Mastrorilli, Dalton Trans., 2018, 47, 8884
DOI: 10.1039/C8DT01561A

Social activity

Search articles by author

Spotlight

Advertisements