Wiegand, Thomas and Eckert, Hellmut and Grimme, Stefan and Malberg, Jennifer and Wolf, Robert (2013) Solid state NMR studies and chemical shift calculations of a gold(I) complex with a diphosphacyclobutadiene cobaltate sandwich anion. SOLID STATE NUCLEAR MAGNETIC RESONANCE, 53. pp. 13-19. ISSN 0926-2040,
Full text not available from this repository. (Request a copy)Abstract
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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | NUCLEAR-MAGNETIC-RESONANCE; APPROXIMATE COULOMB POTENTIALS; AUXILIARY BASIS-SETS; ANGLE-SPINNING NMR; P-31 MAS-NMR; ROTATING SOLIDS; CORRELATION SPECTROSCOPY; CRYSTAL-STRUCTURES; PHOSPHORUS; CHEMISTRY; Gold complex; DFT chemical shift calculations; Dipolar NMR; Relativistic effects |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Robert Wolf |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 08 Apr 2020 10:03 |
| Last Modified: | 08 Apr 2020 10:03 |
| URI: | https://pred.uni-regensburg.de/id/eprint/16613 |
Actions (login required)
 |
View Item |
