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Carbon-13 (¹³C) NMR: Overview01:10

Carbon-13 (¹³C) NMR: Overview

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Carbon-13 is a naturally occurring NMR-active isotope of carbon with a low natural abundance of 1.1%. In contrast, carbon-12 is the most abundant isotope of carbon with zero nuclear spin. Therefore, it is NMR inactive. The gyromagnetic ratio of carbon-13 is smaller than that of protons. As a result, carbon-13 resonance is about 6000 times weaker than proton resonance. For a given magnetic field strength, the resonance frequency of carbon-13 is about one-fourth of the resonance frequency for...
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The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
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Paramagnetism01:30

Paramagnetism

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Paramagnets are materials with unpaired electrons that possess a finite magnetic moment. In the absence of a magnetic field, these moments are randomly oriented, and thus the net moment is zero. Under an external field, a torque acting on the moments tends to align them along the field's direction. However, the random thermal motion of electrons produces a torque opposite to the external field and tries to disorient the moments. These two competing effects align only a few moments along the...
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Ferromagnetism01:31

Ferromagnetism

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Materials like iron, nickel, and cobalt consist of magnetic domains, within which the magnetic dipoles are arranged parallel to each other. The magnetic dipoles are rigidly aligned in the same direction within a domain by quantum mechanical coupling among the atoms. This coupling is so strong that even thermal agitation at room temperature cannot break it. The result is that each domain has a net dipole moment. However, some materials have weaker coupling, and are ferromagnetic at lower...
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Magnetic Moment of an Electron01:23

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Electrons revolving around a nucleus are analogous to a circular current carrying loop. This current produces a magnetic dipole moment proportional to the electron's orbital angular momentum. Since the orbital angular momentum is quantized in terms of the reduced Planck's constant, the dipole moment is quantized in the Bohr Magneton. The value of the Bohr magneton is 9.27 x 10-24 Am2. Electrons also have an intrinsic spin angular momentum, and the associated spin magnetic moment is...
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All atomic nuclei are positively charged. When they have a nonzero spin, they behave like rotating charges. As a consequence of their charge and spin, these nuclei generate a magnetic field (B). This, in turn, gives rise to a magnetic moment (μ), which is randomly oriented in the absence of an external magnetic field. When an external magnetic field (B0) is applied, the magnetic moment vectors can align with the field or against it in 2 + 1 orientations. A hydrogen nucleus, which is just a...
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Spectral and Angle-Resolved Magneto-Optical Characterization of Photonic Nanostructures
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Carbones - A Classification on the Magnetic Criterion.

Erich Kleinpeter1, Andreas Koch1

  • 1Chemisches Institut der Universität Potsdam, Karl-Liebknecht-Str. 24-25, D-14476, Potsdam (Golm), Germany.

Chemistry, an Asian Journal
|November 15, 2023
PubMed
Summary
This summary is machine-generated.

Carbones, including carbodiphosphoranes and bent allenes, share a unique X+-C2--Y+ resonance structure. Their geometry and magnetic properties, analyzed via through-space NMR shieldings, reveal distinct bonding and donating characteristics.

Keywords:
Bent allenesCarbodiphosphoranesCarbonesChalcogen-stabilized carbonesNICSNMRTS NMRS

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Hyperpolarized 13C Metabolic Magnetic Resonance Spectroscopy and Imaging
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Area of Science:

  • * Inorganic Chemistry
  • * Theoretical Chemistry
  • * Computational Chemistry

Background:

  • * Carbones, such as carbodiphosphoranes, bent allenes, and chalcogen-stabilized carbones, are characterized by a central carbon atom with unique bonding and donating properties.
  • * These compounds share a common resonance contributor: X+–C2––Y+, where X and Y represent various positively charged groups like phosphines, carbenes, or chalcogen atoms.

Purpose of the Study:

  • * To classify carbones based on their geometric and magnetic properties.
  • * To investigate the relationship between carbone structure and their electronic characteristics.
  • * To provide a comprehensive understanding of the dominating resonance contributor in carbones.

Main Methods:

  • * Classification based on molecular geometry (linear, bent, orthogonal, twisted).
  • * Analysis of magnetic properties, including 13C chemical shifts and through-space NMR shieldings (TSNMRSs).
  • * Calculation of TSNMRS values using the GIAO perturbation method and the nucleus-independent chemical shift (NICS) concept.
  • * Visualization of results using iso-chemical-shielding surfaces (ICSS).

Main Results:

  • * Carbones exhibit unique bonding and donating properties attributed to their central carbon atom.
  • * A classification scheme integrating geometry and magnetic properties (13C chemical shift, TSNMRS) was developed.
  • * TSNMRS calculations revealed anisotropy and ring current effects, visualized through ICSS.
  • * The interplay between geometry and NMR characteristics provides insights into the dominant resonance contributor.

Conclusions:

  • * The study successfully classifies carbones by combining geometric and magnetic properties.
  • * Through-space NMR shieldings offer valuable insights into the electronic structure and bonding of carbones.
  • * The findings enhance the understanding of the resonance contributor X+–C2––Y+ and its influence on carbone properties.