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Related Concept Videos

Proton (¹H) NMR: Chemical Shift01:07

Proton (¹H) NMR: Chemical Shift

Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. It has a significant energy separation between its nuclear spin states due to its large gyromagnetic ratio. As per Boltzmann's distribution, an increase in the energy separation implies a greater excess population of nuclei available for excitation, resulting in a strong NMR absorption signal.
Absorption signals of all the protium nuclei in a...
¹H NMR of Labile Protons: Temporal Resolution01:10

¹H NMR of Labile Protons: Temporal Resolution

Protons bonded to heteroatoms such as nitrogen and oxygen exhibit a range of chemical shift values. This is due to the varying degree of hydrogen bonding between the proton and the heteroatom in other molecules. The extent of hydrogen bonding affects the electron density around the proton, thereby giving different chemical shift values for the protons in the proton NMR spectrum.
The –OH proton in alcohols typically appears in the range of δ 2 to 5 ppm but can vary depending on the specific...
Titration in Nonaqueous Solvents01:16

Titration in Nonaqueous Solvents

Most acid-base titrations are performed in an aqueous medium. In aqueous titrations, water competes with weaker acids or bases for proton donation or acceptance, leading to ambiguous endpoints in the titration curve. Water also affects the partial ionization of weak acids or bases. For example, water accepts a proton from acetic acid to form hydronium and acetate ions. The hydronium ion formed is a stronger acid than acetic acid, and the acetate ion is a stronger base than water. As a result,...
¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
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.
Leveling Effect01:29

Leveling Effect

In acid-base chemistry, the leveling effect refers to the limitation imposed by the solvent on the strength of acids and bases in solution. When a base stronger than the solvent's conjugate base is used, it deprotonates the solvent until the base is entirely consumed, making it ineffective against weaker acids. Conversely, an acid stronger than the solvent's conjugate acid protonates the solvent until the acid is depleted, rendering it ineffective against weaker bases. Essentially, the solvent...

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Direct Analysis of Single Cells by Mass Spectrometry at Atmospheric Pressure
08:19

Direct Analysis of Single Cells by Mass Spectrometry at Atmospheric Pressure

Published on: September 4, 2010

Excess protons in water-acetone mixtures.

Rocío Semino1, Daniel Laria

  • 1Departamento de Química Inorgánica Analítica y Química e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Pabellón II, Ciudad Universitaria, (1428) Capital Federal, Argentina.

The Journal of Chemical Physics
|May 23, 2012
PubMed
Summary

Proton solvation in water-acetone mixtures shows a transition around 80% acetone, impacting proton transfer and diffusion. The first solvation shell remains stable, but the second shell

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Solution Chemistry

Background:

  • Proton solvation in aqueous solutions is crucial for many chemical and biological processes.
  • Understanding solvation in mixed solvents like water-acetone provides insights into solvent effects on proton dynamics.

Purpose of the Study:

  • To investigate the equilibrium and dynamical properties of excess proton solvation in water-acetone mixtures.
  • To analyze the structural and dynamic changes of proton solvation shells with varying water-acetone concentrations.

Main Methods:

  • Molecular dynamics simulations were employed.
  • An extended valence-bond Hamiltonian was used to model proton translocation.
  • Simulations covered mixtures from pure water to 25% water molar fraction.

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Direct Analysis of Single Cells by Mass Spectrometry at Atmospheric Pressure
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Main Results:

  • The first solvation shell of the H(3)O(+) moiety remained structurally consistent with pure water.
  • Acetone addition stabilized Eigen-like configurations over Zundel-like ones.
  • A transition region near 80% water molar fraction was identified, altering proton transfer and diffusion rates.

Conclusions:

  • Proton solvation dynamics in water-acetone mixtures are significantly influenced by solvent composition, particularly around the transition region.
  • The second solvation shell's composition, including acetone molecules, plays a key role in modulating proton transfer mechanisms.
  • Acetone-water exchange in the second shell can facilitate proton transfer in acetone-rich environments.