کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5420420 | 1507500 | 2013 | 7 صفحه PDF | دانلود رایگان |
- Advanced 2-D NMR experimentation on gold (I) diphosphacyclobutadiene complexes.
- Relativistic chemical shift calculations of gold (I) diphosphacyclobutadiene complexes.
- Correction of a spectral assignment in the literature.
The 31P and 13C solid state nuclear magnetic resonance spectra of a neutral gold(I) complex with bis(diphosphacyclobutadiene) cobaltate anions, [Au{Co(P2C2tPent2)2}2(PMe3)2], are reported. Complete 31P 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 31P 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(P2C2Ad2)2}2] and [K(18-crown-6)(thf)2][Au{Co(P2C2Ad2)2}2] (Ad=adamantyl) must be corrected.
Journal: Solid State Nuclear Magnetic Resonance - Volume 53, June 2013, Pages 13-19