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Related Concept Videos

Cationic Chain-Growth Polymerization: Mechanism00:57

Cationic Chain-Growth Polymerization: Mechanism

The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the generated carbocation,...
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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.
Intermolecular Forces03:13

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...
Colloids03:22

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Children at play often make suspensions such as mixtures of mud and water, flour and water, or a suspension of solid pigments in water known as tempera paint. These suspensions are heterogeneous mixtures composed of relatively large particles that are visible to the naked eye or can be seen with a magnifying glass. They are cloudy, and the suspended particles settle out after mixing. On the other hand, a solution is a homogeneous mixture in which no settling occurs and in which the dissolved...
Aromatic Hydrocarbon Cations: Structural Overview01:18

Aromatic Hydrocarbon Cations: Structural Overview

Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group with both...
Anionic Chain-Growth Polymerization: Mechanism01:04

Anionic Chain-Growth Polymerization: Mechanism

The mechanism for anionic chain-growth polymerization involves initiation, propagation, and termination steps. In the initiation step, a nucleophilic anion, such as butyl lithium, initiates the polymerization process by attacking the π bond of the vinylic monomer. As a result, a carbanion, stabilized by the electron‐withdrawing group, is generated. The resulting carbanion acts as a Michael donor in the propagation step and attacks the second vinylic monomer, which acts as a Michael acceptor.

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Related Experiment Video

Updated: Jun 12, 2026

Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
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Published on: June 20, 2019

Modeling water clusters on cationic carbonaceous seeds.

J Hernández-Rojas1, F Calvo, F Rabilloud

  • 1Departamento de Física Fundamental II and IUdEA, Universidad de La Laguna, 38205, La Laguna, Tenerife, Spain.

The Journal of Physical Chemistry. A
|June 18, 2010
PubMed
Summary

This study models water molecule interactions with carbon cations like buckminsterfullerene using a polarizable potential. Results reveal unique water cluster structures and nonwetting behaviors, differing from pure water systems.

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Synthesis and Characterization of Supramolecular Colloids
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Synthesis and Characterization of Supramolecular Colloids

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Area of Science:

  • Computational Chemistry
  • Physical Chemistry
  • Materials Science

Background:

  • Understanding the behavior of water molecules around large carbonaceous cations is crucial for various chemical and physical processes.
  • Previous models may not fully capture the complex interactions between water and these nonpolar structures.

Purpose of the Study:

  • To model the interaction between water molecules and cationic carbonaceous molecules (buckminsterfullerene, coronene, corannulene).
  • To investigate the structural, thermodynamic, and dynamical properties of these systems.
  • To assess the accuracy of the employed computational model.

Main Methods:

  • Utilized the Dang-Chang many-body polarizable potential for simulations.
  • Employed the basin-hopping method to determine stable structures of water clusters around cations.
  • Validated the intermolecular potential using high-level electronic structure calculations with B97-1 density functional.

Main Results:

  • Identified stable structures of water clusters adjacent to carbon cations, which differ from pure water clusters.
  • The study discusses thermodynamical and dynamical aspects indicating nonwetting behavior.
  • The computational model's accuracy was verified through rigorous electronic structure calculations.

Conclusions:

  • The Dang-Chang potential effectively models water-cation interactions, revealing distinct cluster formations.
  • Observed nonwetting behavior suggests unique interfacial properties of these systems.
  • The findings provide insights into the behavior of water in the presence of large carbonaceous cations.