2024-03-28T20:17:39Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1547872017-12-18T13:56:34Zcom_10261_52707com_10261_5col_10261_52708
Multinuclear solid-state NMR and DFT studies on phosphanido-bridged diplatinum complexes
Mastrorilli, Piero
Todisco, Stefano
Bagno, Alessandro
Gallo, Vito
Latronico, Mario
Fortuño, Consuelo
Gudat, Dietrich
Università degli Studi di Padova
University of Stuttgart
European Commission
Ministerio de Economía y Competitividad (España)
Gobierno de Aragón
Politecnico di Bari
Multinuclear (31P, 195Pt, 19F) solid-state NMR experiments on (nBu4N)2[(C6F5)2Pt(μ-PPh2)2Pt(C6F5)2] (1), [(C6F5)2Pt(μ-PPh2)2Pt(C6F5)2](Pt–Pt) (2), and cis-Pt(C6F5)2(PHPh2)2 (3) were carried out under cross-polarization/magic-angle-spinning conditions or with the cross-polarization/Carr–Purcell Meiboom–Gill pulse sequence. Analysis of the principal components of the 31P and 195Pt chemical shift (CS) tensors of 1 and 2 reveals that the variations observed comparing the isotropic chemical shifts of 1 and 2, commonly referred to as “ring effect”, are mainly due to changes in the principal components oriented along the direction perpendicular to the Pt2P2 plane. DFT calculations of 31P and 195Pt CS tensors confirmed the tensor orientation proposed from experimental data and symmetry arguments and revealed that the different values of the isotropic shieldings stem from differences in the paramagnetic and spin–orbit contributions.
2017-09-06T06:58:56Z
2017-09-06T06:58:56Z
2015
2017-09-06T06:58:56Z
artículo
Inorganic Chemistry 54(12): 5855-5863 (2015)
http://hdl.handle.net/10261/154787
10.1021/acs.inorgchem.5b00627
http://dx.doi.org/10.13039/501100000780
http://dx.doi.org/10.13039/501100003500
http://dx.doi.org/10.13039/501100003329
http://dx.doi.org/10.13039/501100010067
eng
Sí
closedAccess
American Chemical Society