Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Composition of Polyprotic Acid Solutions as a Function of pH01:19

Composition of Polyprotic Acid Solutions as a Function of pH

525
Polyprotic acids of the type H2M constitute two ionizable protons. As a result, on titration with a base, they exhibit two equivalence points in the titration curve. During titration, the species H2M, HM−, and M2− will be present in the solution at different points. The fractions of H2M, HM−, and M2− present at the various instances of the titration are denoted by α0, α1, and α2, respectively.
A graph with the alpha values is plotted against the volume of...
525
Polyprotic Acids03:38

Polyprotic Acids

29.2K
Acids are classified by the number of protons per molecule that they can give up in a reaction. Acids such as HCl, HNO3, and HCN that contain one ionizable hydrogen atom in each molecule are called monoprotic acids. Their reactions with water are:
29.2K
Titration of Polyprotic Acids with a Strong Base01:23

Titration of Polyprotic Acids with a Strong Base

1.8K
Titration of a polyprotic acid, which contains multiple ionizable protons, involves distinct dissociation steps, each with its own dissociation constant (Ka). Each successive Ka is weaker than the previous one. In the titration of a polyprotic acid like sulfurous acid with a strong base such as sodium hydroxide, the base first neutralizes the initial ionizable proton, forming an intermediate species (e.g., hydrogen sulfite ions). This step's titration curve resembles that of a weak...
1.8K
Titration of a Polyprotic Acid02:08

Titration of a Polyprotic Acid

96.6K
A polyprotic acid contains more than one ionizable hydrogen and undergoes a stepwise ionization process.  If the acid dissociation constants of the ionizable protons differ sufficiently from each other, then the titration curve for such polyprotic acid generates a distinct equivalence point for each of its ionizable hydrogens. Therefore, titration of a diprotic acid results in the formation of two equivalence points, whereas the titration of a triprotic acid results in the formation of three...
96.6K
Acidity of Carboxylic Acids01:21

Acidity of Carboxylic Acids

7.2K
Carboxylic acids are the strongest organic acids. However, their acidic strength is much less than mineral acids like HCl. Carboxylic acids ionize in water and readily lose the hydroxyl proton to form a resonance-stabilized carboxylate ion.
7.2K
NMR and Mass Spectroscopy of Carboxylic Acids01:30

NMR and Mass Spectroscopy of Carboxylic Acids

4.0K
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...
4.0K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Atomistic Insights into Structure and Properties of ε-Caprolactone Oligomers.

The journal of physical chemistry. B·2026
Same author

Machine-learning to predict anharmonic frequencies: a study of models and transferability.

Physical chemistry chemical physics : PCCP·2024
Same author

The effect of machine learning predicted anharmonic frequencies on thermodynamic properties of fluid hydrogen fluoride.

The Journal of chemical physics·2024
Same author

TURBOMOLE: Today and Tomorrow.

Journal of chemical theory and computation·2023
Same author

H

ChemistryOpen·2023
Same author

Performance of Common Density Functionals for Excited States of Tetraphenyldibenzoperiflanthene.

The journal of physical chemistry. A·2023
Same journal

An intrinsically stretchable nanowire-based sensing patch for wearable analysis of sweat chloride ion composition.

Chemical communications (Cambridge, England)·2026
Same journal

A sterically rigid-flexible balanced NHC-Pd precatalyst for room-temperature solvent-free C-N coupling of benzocyclic amines.

Chemical communications (Cambridge, England)·2026
Same journal

Portable fluorescent conjugated microporous polymer sensor coupled with a smartphone for on-site Fe<sup>3+</sup> detection in water.

Chemical communications (Cambridge, England)·2026
Same journal

Accelerated discovery of NO<sub>3</sub>RR single-atom catalysts <i>via</i> high-throughput DFT and machine learning.

Chemical communications (Cambridge, England)·2026
Same journal

Wafer-scale robust graphene electronics under industrial processing conditions.

Chemical communications (Cambridge, England)·2026
Same journal

Subnanoscale IrW oxide anodes: breaking immiscibility for high activity and durability in water electrolysis.

Chemical communications (Cambridge, England)·2026
See all related articles

Related Experiment Video

Updated: Jul 11, 2025

Determination of the Gas-phase Acidities of Oligopeptides
11:00

Determination of the Gas-phase Acidities of Oligopeptides

Published on: June 24, 2013

11.2K

Koopmans' theorem for acidic protons.

Tim Schrader1, Jamoliddin Khanifaev1, Eva Perlt1

  • 1Friedrich Schiller University Jena, Löbdergraben 32, 07743, Jena, Germany. eva.von.domaros@uni-jena.de.

Chemical Communications (Cambridge, England)
|November 3, 2023
PubMed
Summary
This summary is machine-generated.

Researchers explored Brønsted acidity using Nuclear Electronic Orbital (NEO) methods. This approach links proton wavefunction orbital energies to acid strength, offering new computational tools for chemistry and biochemistry.

More Related Videos

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability
09:49

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability

Published on: April 2, 2015

10.6K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.3K

Related Experiment Videos

Last Updated: Jul 11, 2025

Determination of the Gas-phase Acidities of Oligopeptides
11:00

Determination of the Gas-phase Acidities of Oligopeptides

Published on: June 24, 2013

11.2K
Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability
09:49

Sedimentation Equilibrium of a Small Oligomer-forming Membrane Protein: Effect of Histidine Protonation on Pentameric Stability

Published on: April 2, 2015

10.6K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.3K

Area of Science:

  • Computational Chemistry
  • Physical Chemistry
  • Quantum Chemistry

Background:

  • Brønsted acidity is fundamental in chemistry and biochemistry.
  • Traditional methods may not fully capture proton behavior.

Purpose of the Study:

  • To investigate Brønsted acidity using a novel computational perspective.
  • To explore the applicability of Nuclear Electronic Orbital (NEO) methods for acidity studies.

Main Methods:

  • Application of Nuclear Electronic Orbital (NEO) methods, explicitly accounting for proton quantum character.
  • Interpretation of proton wavefunction orbital energies.
  • Correlation of NEO results with enthalpies of deprotonation and acid strength.

Main Results:

  • A correlation was observed between NEO orbital energies and acid strength for organic acids.
  • The NEO-Koopmans' approach demonstrates validity for acidity investigations.

Conclusions:

  • NEO methods provide a new perspective on Brønsted acidity.
  • The NEO-Koopmans' approach offers a promising tool for computational acidity studies.