Zusammenfassung
The P-31 and C-13 solid state nuclear magnetic resonance spectra of a neutral gold(I) complex with bis(diphosphacyclobutadiene) cobaltate anions, [Au{Co(P(2)C(2)tPent(2))(2)}(2)(PMe3)(2)], are reported. Complete P-31 resonance assignments have been derived from saturation transfer, radio-frequency driven recoupling (RFDR) and RTOBSY experiments and confirmed further by ab-initio calculations of ...
Zusammenfassung
The P-31 and C-13 solid state nuclear magnetic resonance spectra of a neutral gold(I) complex with bis(diphosphacyclobutadiene) cobaltate anions, [Au{Co(P(2)C(2)tPent(2))(2)}(2)(PMe3)(2)], are reported. Complete P-31 resonance assignments have been derived from saturation transfer, radio-frequency driven recoupling (RFDR) and RTOBSY experiments and confirmed further by ab-initio calculations of magnetic shielding tensors by density functional theory, with consideration of relativistic effects. Coordination of the diphosphacyclobutadiene ring with gold(I) results in a high-frequency shift of the P-31 signal of the directly coordinated P atom, whereas a low-frequency shift is observed for the P atom at the opposite end of that ring. Based on these results, a previous assignment made for the complex salts [Au(PMe3)(4)][Au{Co(P(2)C(2)Ad(2))(2)}(2)] and [K(18-crown-6)(thf)(2)][Au{Co(P(2)C(2)Ad(2))(2)}(2)] (Ad=adamantyl) must be corrected. (C) 2013 Elsevier Inc. All rights reserved.
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