6533b858fe1ef96bd12b6bb8
RESEARCH PRODUCT
Solvation chemistry of water-soluble thiol-protected gold nanocluster Au102 from DOSY NMR spectroscopy and DFT calculations
Hannu HäkkinenTanja LahtinenKirsi SalorinneJaakko KoivistoSami Malolasubject
chemistry.chemical_classificationDeprotonationchemistryHydrogen bondComputational chemistryLigandSolvationCluster (physics)MoleculeGeneral Materials ScienceNuclear magnetic resonance spectroscopyCounteriondescription
The hydrodynamic diameter of Aum(pMBA)n [(m, n) = (102, 44) and (144, 60)] clusters in aqueous media was determined via DOSY NMR spectroscopy. The apparent size of the same (n, m) cluster depends on the counter ion of the deprotonated pMBA− ligand as explained by the competing ion-pair strength and hydrogen bonding interactions studied in DFT calculations. The choice of the counter ion affects the surface chemistry and molecular structure at the organic/water interface, which is relevant for biological applications.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2014-01-01 | Nanoscale |