An experimental and computational NMR study of organometallic nine-membered rings: Trinuclear silver(I) complexes of pyrazolate ligands.
Ibon AlkortaJose ElgueroH V Rasika DiasDevaborniny ParasarManuel Martín PastorPublished in: Magnetic resonance in chemistry : MRC (2020)
This work reports the calculation of the nuclear magnetic resonance (NMR) chemical shifts of eight trinuclear Ag(I) complexes of pyrazolate ligands using the relativistic program ZORA. The data from the literature concern exclusively 1 H, 13 C, and 19 F nuclei. For this reason, one of the complexes that is derived from 3,5-bis-trifluoromethyl-1H-pyrazole has been studied anew, and the 15 N and 109 Ag chemical shifts determined for the first time in solution. Solid-state NMR data of this compound have been obtained for some nuclei (1 H, 13 C, and 19 F) but not for others (14 N, 15 N, and 109 Ag).
Keyphrases
- solid state
- magnetic resonance
- quantum dots
- electronic health record
- highly efficient
- big data
- systematic review
- visible light
- gold nanoparticles
- quality improvement
- machine learning
- ionic liquid
- adverse drug
- emergency department
- magnetic resonance imaging
- computed tomography
- artificial intelligence
- mass spectrometry
- deep learning
- high resolution