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Related Concept Videos

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
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...
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...
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: 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.
Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)01:15

Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)

Insensitive Nuclei Enhanced by Polarization Transfer (INEPT) is an advanced Nuclear Magnetic Resonance (NMR) technique specifically designed to detect and enhance the signals of low-abundance nuclei, such as carbon-13 and nitrogen-15, in small molecules. The fundamental principle behind INEPT is the transfer of polarization from a more abundant and highly polarizable nucleus, typically hydrogen-1, to the low-abundance nucleus of interest. This process effectively boosts the NMR signal of the...

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Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes
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Electronic Structures of Pt(0) Complexes and Atomically Precise Clusters from Solid-State 195Pt NMR Signatures.

Domenico Gioffrè1, Jonas Koppe1,2, Michael Wörle1

  • 1Department of Chemistry and Applied Biosciences, ETH Zürich, CH-8093 Zürich, Switzerland.

Journal of the American Chemical Society
|May 19, 2026
PubMed
Summary

This study demonstrates how 195Pt solid-state NMR spectroscopy can identify distinct metal sites in platinum clusters. This technique validates computational models by correlating NMR "fingerprints" with electronic structures.

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Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
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Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Published on: May 28, 2014

Area of Science:

  • Inorganic Chemistry
  • Materials Science
  • Spectroscopy

Background:

  • Metal clusters exhibit unique properties valuable for diverse applications and fundamental studies of metal systems.
  • Previous research focused on theoretical rationalization of cluster structures, lacking experimental spectroscopic validation.
  • Relating theoretical models to specific spectroscopic signatures of metal clusters remains an underexplored area.

Purpose of the Study:

  • To establish solid-state NMR as a tool for distinguishing metal sites in platinum clusters.
  • To experimentally validate computational molecular orbital (MO) diagrams using NMR data.
  • To apply this approach to known and novel platinum cluster structures.

Main Methods:

  • Studied a series of platinum (Pt) clusters (Ptn(0)) with varying nuclearities.
  • Utilized 195Pt solid-state Nuclear Magnetic Resonance (NMR) spectroscopy.
  • Performed computational analysis of molecular orbital (MO) diagrams for the studied clusters.

Main Results:

  • 195Pt NMR effectively differentiates metal sites within platinum clusters.
  • NMR spectral analysis provides experimental validation for computed MO diagrams.
  • The approach was successfully applied to known platinum phosphine/carbonyl clusters and a novel Pt5 cluster.

Conclusions:

  • Solid-state NMR is a versatile method for characterizing metal sites in clusters.
  • This NMR-based approach bridges theoretical calculations and experimental spectroscopy.
  • The methodology is extendable to other metal clusters and nanostructures with NMR-active centers.