Related Experiment Video
Updated: Jun 12, 2026

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
Published on: September 2, 2016
Physically separated references for diffusion coefficient-formula weight (D-FW) analysis of diffusion-ordered NMR
Weibin Li1, Gerald Kagan, Huan Yang
1Department of Chemistry, Brown University Providence, Rhode Island 02912, USA.
Physically separated references enable aqueous (1)H DOSY diffusion coefficient-formula weight (D-FW) correlation analysis for diverse water-soluble molecules. This advancement is particularly useful for green chemistry applications involving metal complexes.
Area of Science:
- Analytical Chemistry
- Physical Chemistry
- Green Chemistry
Background:
- Diffusion Ordered Spectroscopy (DOSY) is a powerful NMR technique for characterizing molecules.
- Correlating diffusion coefficients (D) with formula weights (FW) provides insights into molecular size and aggregation.
- Current DOSY D-FW methods are limited in their application to aqueous systems.
Purpose of the Study:
- To develop and apply physically separated references for aqueous (1)H DOSY D-FW correlation analysis.
- To expand the utility of DOSY D-FW analysis to water-soluble molecules and metal complexes.
- To facilitate applications in green chemistry.
Main Methods:
- Utilized commercially available biological buffers (Tris, HEPES) and tert-butanol as physically separated references.
- Employed D(2)O as the solvent for the analysis.
- Applied the method to a Ruthenium (Ru) and a Manganese (Mn) complex.
Main Results:
- Successfully established a method for aqueous (1)H DOSY D-FW correlation using physically separated references.
- Demonstrated the applicability of the method to Ru and Mn complexes in D(2)O.
- Validated the expansion of DOSY D-FW analysis for a broader range of water-soluble compounds.
Conclusions:
- The developed method extends DOSY D-FW analysis to aqueous environments, overcoming previous limitations.
- This technique offers a valuable tool for characterizing water-soluble molecules, including metal complexes.
- The approach holds significant potential for advancing green chemistry research and applications.
Related Concept Videos
Chemical Shift: Internal References and Solvent Effects
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
¹H NMR of Labile Protons: Deuterium (²H) Substitution
Extraction: Partition and Distribution Coefficients
For extracting a solute from an aqueous phase into an organic...
Diffusion on Chromatography Columns
Longitudinal diffusion occurs when the solute molecules in the mobile phase diffuse from the more concentrated center of the chromatographic band to the more dilute regions on either side, both towards and against the flow direction. This...
Two-Dimensional (2D) NMR: Overview
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse.
