ISSN:
1434-1948
Keywords:
103Rh NMR
;
Rhodium complexes
;
Nitrogen ligands
;
Chemical-shift computation
;
Chemistry
;
General Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
In order to study electronic and steric effects on δ(103Rh), the103Rh-NMR spectra of a series of [Rh(cod)L2] complexes (with L = nitrogen, oxygen, or chloride) have been measured by gradient-enhanced HMQC (1H,103Rh) NMR spectroscopy. Density functional computations of representative examples have been performed at the GIAO-B3LYP level of theory. The obtained experimental values of 103Rh shifts fit the generally observed trend of coordinating ligands in the first coordination sphere of the metal: P 〈 N 〈 O. Calculated 103Rh shifts agreed to within 8 % with experimental values. The computational results indicate that the Rh-N bond distance has a larger influence on the chemical shift than the N-Rh-N angle.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
