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Related Concept Videos

Other Nuclides: 31P, 19F, 15N NMR01:16

Other Nuclides: 31P, 19F, 15N NMR

Many organic, inorganic, and biological molecules contain spin-half nuclei such as nitrogen-15, fluorine-19, and phosphorus-31. As a result, NMR studies of these nuclei have found extensive applications in chemical and biological research.
While fluorine-19 and phosphorous-31 have high natural abundances (100%) and positive gyromagnetic ratios, nitrogen-15 has a low natural abundance and a negative gyromagnetic ratio. However, nitrogen-15 is still preferred over nitrogen-14 (which has a high...
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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...
NMR and Mass Spectroscopy of Carboxylic Acids01:30

NMR and Mass Spectroscopy of Carboxylic Acids

In ¹H NMR spectroscopy, acidic protons (–COOH) of carboxylic acids are highly deshielded and absorb far downfield, at around 9–12 ppm. The chemical shift value depends on the concentration and solvent used.
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the disappearance of the acidic...
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...
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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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Published on: September 17, 2017

Solid-State NMR Studies of Chemically Lithiated CF.

N D Leifer1, V S Johnson, R Ben-Ari

  • 1Department of Physics, Hunter College of The City University of New York, New York, New York 10065, USA.

Journal of the Electrochemical Society
|August 3, 2010
PubMed
Summary

This study used solid-state NMR to analyze three fluorinated carbon (CFx) materials. Differences in covalent fluorine character and lithium fluoride production were observed, impacting electrochemical performance.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Solid-State Chemistry

Background:

  • Fluorinated carbon (CFx) materials are crucial in electrochemical applications.
  • Understanding the atomic/molecular structure of CFx is key to optimizing performance.
  • Variations in CFx precursors can lead to different material properties.

Purpose of the Study:

  • To investigate the structural differences in three types of CFx materials (fiber, graphite, petroleum coke based).
  • To correlate atomic/molecular structural features with observed electrochemical performance variations.
  • To elucidate the impact of sequential lithiation on CFx structure.

Main Methods:

  • Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy, specifically Carbon-13 ((13)C) and Fluorine-19 ((19)F) NMR.
  • Sequential chemical lithiation using n-butyllithium.
  • Analysis of three distinct CFx precursors in their original and lithiated states.

Main Results:

  • Identified variations in the covalent fluorine character among the initial CFx materials.
  • Observed distinct differences in the formation of lithium fluoride (LiF) during the lithiation process for each CFx type.
  • Structural insights were gained into the atomic/molecular level changes induced by lithiation.

Conclusions:

  • The covalent fluorine character of the starting CFx material influences its behavior during lithiation.
  • Differences in LiF production are directly linked to the initial CFx structure and affect electrochemical properties.
  • Solid-state NMR is effective in characterizing structural changes in CFx materials relevant to electrochemical performance.