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 Experiment Video

Updated: Jul 14, 2026

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles
11:54

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles

Published on: June 25, 2018

Modeling Alkylcopper Decomposition Pathway: Deciphering Pre-Nucleation Processes for Metallic Cu Nanoparticles

Marina Descoubes1, Hélène Gérard1

  • 1Laboratoire De Chimie Théorique (LCT), Sorbonne Université, CNRS, Paris, France.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|July 12, 2026
PubMed
Summary

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Computational Experiments Probing the Adaptability of the [NCCH<sub>2</sub>]<sup>-</sup> Electronic Structure to Various Bonding Environments.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same author

Solvent-dependent electronic dichotomy in zinc complexes with non-innocent ligands: divalent Zn<sup>(+II)</sup><i>vs.</i> monovalent Zn<sup>(+I)</sup> forms.

Physical chemistry chemical physics : PCCP·2025
Same author

Two-Step Reduction Pathway of Copper(II) by Oleylamine for the Nucleation of Cu(0) Nanoparticles: A Joint Modelling and Experimental Study.

Chemphyschem : a European journal of chemical physics and physical chemistry·2025
Same author

Trans-Concerted Addition to Alkynes: the case of Ynamide Silylzincation.

Chemistry (Weinheim an der Bergstrasse, Germany)·2024
Same author

Triggering Electron Transfer in Co(I) Dimers: Computational Evidences for a Reversible Disproportionation Mechanism.

Chemphyschem : a European journal of chemical physics and physical chemistry·2021
Same author

Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li<sup></sup>.

Journal of molecular modeling·2020

This study reveals ethylcopper decomposition pathways, highlighting copper aggregation and autocatalysis in ethane formation. The rate-determining step involves reduction, crucial for understanding pre-nucleation processes.

Area of Science:

  • Chemical kinetics
  • Organometallic chemistry
  • Computational chemistry

Background:

  • Ethylcopper compounds are precursors in various chemical processes.
  • Understanding their thermal decomposition is key to controlling reaction outcomes.
  • Pre-nucleation stages significantly influence material formation.

Purpose of the Study:

  • To elucidate the thermal decomposition mechanism of ethylcopper.
  • To identify key intermediates and rate-determining steps.
  • To investigate the role of copper aggregation and autocatalysis.

Main Methods:

  • Density Functional Theory (DFT) calculations.
  • Analysis of reaction pathways and activation barriers.
  • Comparison with experimental data from literature.
Keywords:
C—H activationDFTcopperpre‐nucleationreaction mechanism

More Related Videos

Generation of Scalable, Metallic High-Aspect Ratio Nanocomposites in a Biological Liquid Medium
13:34

Generation of Scalable, Metallic High-Aspect Ratio Nanocomposites in a Biological Liquid Medium

Published on: July 8, 2015

Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation
10:19

Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation

Published on: July 18, 2017

Related Experiment Videos

Last Updated: Jul 14, 2026

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles
11:54

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles

Published on: June 25, 2018

Generation of Scalable, Metallic High-Aspect Ratio Nanocomposites in a Biological Liquid Medium
13:34

Generation of Scalable, Metallic High-Aspect Ratio Nanocomposites in a Biological Liquid Medium

Published on: July 8, 2015

Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation
10:19

Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation

Published on: July 18, 2017

Main Results:

  • Identified key pathways involving beta-H elimination and subsequent reduction.
  • Found the reduction step to be rate-determining.
  • Demonstrated the significant role of copper trimer formation in decomposition.
  • Highlighted the autocatalytic effect of Cu(0) atoms.

Conclusions:

  • The thermal decomposition of ethylcopper is complex, involving aggregation and autocatalysis.
  • DFT calculations provide critical insights into kinetic and thermodynamic aspects.
  • Findings contribute to a deeper understanding of pre-nucleation phenomena in organometallic chemistry.