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Related Concept Videos

¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
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...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

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Related Experiment Video

Updated: Jun 27, 2026

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
10:51

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes

Published on: April 10, 2015

2H solid-state NMR of ruthenium complexes.

Bernadeta Walaszek1, Anna Adamczyk, Tal Pery

  • 1Institut für Physikalische and Theoretische Chemie, Freie Universität Berlin, Takustr.3, D-14195 Berlin, Germany.

Journal of the American Chemical Society
|December 5, 2008
PubMed
Summary

This study used deuterium NMR to analyze transition metal complexes as models for ruthenium nanoparticle surfaces. Quadrupolar coupling constants help characterize different hydrogen species on these surfaces.

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Heterogeneous Removal of Water-Soluble Ruthenium Olefin Metathesis Catalyst from Aqueous Media Via Host-Guest Interaction

Published on: August 23, 2018

Area of Science:

  • Solid-state Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Materials Science
  • Catalysis

Background:

  • Transition metal complexes serve as model systems for understanding surface phenomena.
  • Hydrogen species on ruthenium nanoparticles are crucial for catalytic activity.
  • Solid-state deuterium (2H) NMR is a powerful technique for characterizing hydrogen environments.

Purpose of the Study:

  • To investigate the hydrogen species in transition metal complexes using 2H solid-state NMR.
  • To extract deuterium quadrupolar coupling constants (Qcc) and asymmetry parameters.
  • To establish a method for characterizing hydrogen species on ruthenium nanoparticle surfaces.

Main Methods:

  • Synthesis and characterization of various transition metal complexes (Tp*RuD(THT)2, Tp*RuD(D2)(THT), Tp*RuD(D2)2, Cp*RuD3(PPh3), RuD2(eta2-D2)2(PCy3)2).
  • Measurement of 2H solid-state NMR spectra over a wide temperature range.
  • Analysis of NMR line shapes to determine quadrupolar coupling constants (Qcc) and asymmetry parameters.

Main Results:

  • Deuterium quadrupolar coupling constants (Qcc) for metal-bound deuterons ranged from 13 kHz to 76 kHz.
  • Deuterium incorporated into carbon positions showed Qcc values between 134 kHz and 192 kHz.
  • A narrow line at room temperature indicated highly mobile deuterons, attributed to impurities or D2 loss.

Conclusions:

  • The measured quadrupolar coupling constants can effectively differentiate various hydrogen species.
  • This NMR approach provides a means to characterize hydrogen species on Ru-nanoparticle surfaces.
  • Understanding these species is vital for optimizing ruthenium-based catalysts.