We developed an approach for determining distances between carbon nanoparticles and grafted paramagnetic ions and molecules by means of nuclear spin-lattice relaxation data. The approach was applied to copper-, cobalt- and gadolinium-grafted nanodiamonds, iron-grafted graphenes, manganese-grafted graphene oxide and activated carbon fibers that adsorb paramagnetic oxygen molecules. Our findings show that the aforementioned distances vary in the range of 2.7-5.4 Å and that the fixation of paramagnetic ions to nanoparticles is most likely implemented by means of the surface functional groups. The nuclear magnetic resonance data data are compared with the results of electron paramagnetic resonance measurements and density functional theory calculations.
Keyphrases
- density functional theory
- magnetic resonance
- molecular dynamics
- electronic health record
- big data
- quantum dots
- contrast enhanced
- high resolution
- aqueous solution
- data analysis
- walled carbon nanotubes
- minimally invasive
- water soluble
- artificial intelligence
- mass spectrometry
- solid phase extraction
- solid state
- molecularly imprinted