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Related Concept Videos

Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
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...
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this process,...
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved in...
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

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Updated: May 25, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Probing the surface structure of divalent transition metals using surface specific solid-state NMR spectroscopy.

Harris E Mason1, Stephen J Harley, Robert S Maxwell

  • 1Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue Livermore, California 94551, United States.

Environmental Science & Technology
|February 10, 2012
PubMed
Summary

Nuclear magnetic resonance (NMR) spectroscopy reveals how paramagnetic cations like copper (Cu2+) and nickel (Ni2+) bind to silica surfaces. This method provides structural insights crucial for understanding metal transport in the environment.

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Published on: January 19, 2018

Area of Science:

  • Environmental science
  • Geochemistry
  • Spectroscopy

Background:

  • Paramagnetic species in environmental systems influence spectroscopic signals.
  • Nuclear magnetic resonance (NMR) spectroscopy is sensitive to paramagnetic interactions.
  • Understanding cation sorption is vital for environmental fate and transport models.

Purpose of the Study:

  • To apply solid-state NMR and chemometrics to study the sorption of paramagnetic cations Cu(2+) and Ni(2+) on amorphous silica.
  • To derive structural information at low, environmentally relevant cation loadings.
  • To validate sorption models used in geochemistry.

Main Methods:

  • Solid-state nuclear magnetic resonance (NMR) spectroscopy.
  • Chemometrics analysis.
  • Comparison of paramagnetic-containing samples with paramagnetic-free samples.

Main Results:

  • NMR successfully probed the sorption behavior of Cu(2+) and Ni(2+) on amorphous silica.
  • Structural information was obtained at low cation surface loadings.
  • Data support a sorption model involving inner sphere complexation at deprotonated silanol sites.

Conclusions:

  • Solid-state NMR is effective for studying paramagnetic cation sorption on mineral surfaces.
  • The findings refine models of metal sorption and transport in environmental systems.
  • This research contributes to a better understanding of contaminant fate in geochemistry.