New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]
Abstract
An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.
- Publication:
-
Journal of Molecular Structure
- Pub Date:
- April 2019
- DOI:
- 10.1016/j.molstruc.2019.01.013
- Bibcode:
- 2019JMoSt1182..100T
- Keywords:
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- Iridium;
- Aquacomplexes;
- Nitrocomplexes;
- X-ray structure;
- DFT;
- NMR