C-13 magnetic relaxation rates and H-1 and C-13 paramagnetic shifts of Co(II) complex of dopamine

✍ Scribed by M. Monduzzi; A. Lai; G. Saba; M. Casu; G. Crisponi

• Publisher: Elsevier Science
• Year: 1982
• Weight: 464 KB
• Volume: 24
• Category: Article
• ISSN: 0378-4487
• DOI: 10.1016/0378-4487(82)80056-3

✦ Synopsis

The importance of unpaired spin distribution in the Co(II)-Dopamine complex, in aqueous solution, was investigated.

From the analysis of the H-l and C-13 isotropic shifts and with the aid of an INDO M.O.

calculation on a dopamine radical, a prevalent *type delocalization mechanism of the spin density was evidentiated, even if a contribution from n-electrons cannot be completely excluded.

The analysis of the spin-lattice relaxation rates revealed the importance of ligand-centered dipolar interactions. The introduction of the spin densities,calculated from the INDO method,in the modified Solomon-Bloembergen equation, allowed to estimate the correlation time of the complex, which can be identified with the electronic relaxation time.