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Related Concept Videos

Acid-Catalyzed Hydration of Alkenes02:45

Acid-Catalyzed Hydration of Alkenes

14.1K
Alkenes react with water in the presence of an acid to form an alcohol. In the absence of acid, hydration of alkenes does not occur at a significant rate, and the acid is not consumed in the reaction. Therefore, alkene hydration is an acid-catalyzed reaction.
14.1K
Formation of Complex Ions03:45

Formation of Complex Ions

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A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
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Ions as Acids and Bases02:54

Ions as Acids and Bases

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Salts with Acidic Ions
Salts are ionic compounds composed of cations and anions, either of which may be capable of undergoing an acid or base ionization reaction with water. Aqueous salt solutions, therefore, may be acidic, basic, or neutral, depending on the relative acid-base strengths of the salt’s constituent ions. For example, dissolving the ammonium chloride in water results in its dissociation, as described by the equation:
23.7K
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration02:34

Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration

8.4K
The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
8.4K
Lewis Acids and Bases02:33

Lewis Acids and Bases

44.0K
In 1923, G. N. Lewis proposed a generalized definition of acid-base behavior in which acids and bases are identified by their ability to accept or to donate a pair of electrons and form a coordinate covalent bond.
A coordinate covalent bond (or dative bond) occurs when one of the atoms in the bond provides both bonding electrons. For example, a coordinate covalent bond occurs when a water molecule combines with a hydrogen ion to form a hydronium ion. A coordinate covalent bond also results when...
44.0K
Aldehydes and Ketones with Water: Hydrate Formation01:20

Aldehydes and Ketones with Water: Hydrate Formation

3.2K
An oxygen-based nucleophile, like water, can undergo addition reactions with aldehydes and ketones. The reaction leads to the formation of hydrates, also referred to as 1,1-diols or geminal diols.
The formation of hydrates is a reversible reaction. Hydrate formation is influenced by steric and electronic factors accompanying the alkyl substituents on the carbonyl group: The rate of hydrate formation increases with a decrease in the number of alkyl groups attached to the carbonyl carbon. Hence,...
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Updated: Jul 2, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Hydrated Formic Acid Clusters and their Interaction with Electrons.

Kevin Li1, Jozef Ďurana2, Barbora Kocábková2

  • 1Lehrstuhl für Physikalische Chemie, TUM School of Natural Sciences, Technische Universität München, Lichtenbergstraße 4, 85748, Garching, Germany.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|February 19, 2024
PubMed
Summary
This summary is machine-generated.

Investigating electron interactions with hydrated formic acid (FA) clusters reveals distinct ion formation pathways. Electron ionization primarily yields protonated ions, while electron attachment shows size and energy-dependent fragmentation, impacting cluster composition analysis.

Keywords:
hydrogen bondsion-molecule reactionsionizationmass spectrometrysolvent effects

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Area of Science:

  • Physical Chemistry
  • Chemical Physics
  • Materials Science

Background:

  • Understanding the behavior of hydrated clusters is crucial for various chemical and physical processes.
  • Formic acid (FA) and water clusters serve as model systems for studying solvation and ionization phenomena.
  • Electron-matter interactions are fundamental to many chemical reactions and analytical techniques.

Purpose of the Study:

  • To investigate ion formation in hydrated formic acid (FA) clusters upon electron impact.
  • To elucidate the mechanisms of ion formation and fragmentation under electron ionization (EI) and electron attachment (EA).
  • To determine the influence of cluster size, hydration level, and electron energy on ion spectra and cluster composition analysis.

Main Methods:

  • Experimental investigation of ion formation in hydrated formic acid clusters using variable energy electrons.
  • Focus on electron ionization (EI) at 70 eV and low-energy electron attachment (EA) at 1.5–15 eV.
  • Analysis of positive and negative ion mass spectra to identify fragment ions and assess cluster composition.

Main Results:

  • Electron ionization (EI) predominantly produces protonated [FAm+H]+ ions and stable ring structures around H3O+ in FA-rich clusters.
  • Low-energy electron attachment (EA) favors the formation of intact [FAm·Wn]− ions, while higher energies promote fragmentation to [FAm·Wn-H]−.
  • Intracluster ion-molecule reactions influence fragmentation pathways at higher electron energies.
  • Water evaporation from clusters is highly dependent on the ionization method, complicating neutral cluster size estimation from mass spectra.

Conclusions:

  • The ionization method significantly dictates the ion formation pathways and fragmentation patterns in hydrated formic acid clusters.
  • Mass spectra of FA-rich clusters can provide insights into their size and composition, but water evaporation effects must be considered.
  • Accurate determination of neutral hydrated cluster size from mass spectra is challenging due to ionization-dependent water loss.