title: Multinuclear Solid-State NMR and DFT Studies on Phosphanido-Bridged Diplatinum Complexes.
abstract: Multinuclear ((31)P, (195)Pt, (19)F) 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 (31)P and (195)Pt 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 (31)P and (195)Pt 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.
authors.affiliation: †Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Politecnico di Bari, Via Orabona 4, I-70125 Bari, Italy.|‡Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), Via Orabona 4, 70125 Bari, Italy.
authors.forename: Piero
authors.initials: P
authors.lastname: Mastrorilli
authors.affiliation: †Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Politecnico di Bari, Via Orabona 4, I-70125 Bari, Italy.
authors.forename: Stefano
authors.initials: S
authors.lastname: Todisco
authors.affiliation: §Dipartimento di Scienze Chimiche, Università di Padova, Via Marzolo 1, 35131 Padova, Italy.
authors.forename: Alessandro
authors.initials: A
authors.lastname: Bagno
authors.affiliation: †Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Politecnico di Bari, Via Orabona 4, I-70125 Bari, Italy.
authors.forename: Vito
authors.initials: V
authors.lastname: Gallo
authors.affiliation: †Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Politecnico di Bari, Via Orabona 4, I-70125 Bari, Italy.|‡Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), Via Orabona 4, 70125 Bari, Italy.
authors.forename: Mario
authors.initials: M
authors.lastname: Latronico
authors.affiliation: ∥Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea, Universidad de Zaragoza-C.S.I.C., E-50009 Zaragoza, Spain.
authors.forename: Consuelo
authors.initials: C
authors.lastname: Fortuño
authors.affiliation: ⊥Institut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.
authors.forename: Dietrich
authors.initials: D
authors.lastname: Gudat