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How Does Cu(II) Convert into Cu(I)?
journal contribution
posted on 2017-10-14, 16:17 authored by gloria tabacchigloria tabacchi, Ettore Fois, Davide Barreca, Eugenio Tondello, Alberto Gasparotto, Roberta SeragliaGreen open access version, frontispiece picture, graphical abstract and supporting information of the article:
How Does Cu-II Convert into Cu-I: An Unexpected Ring-Mediated Single-Electron Reduction.
Published in: Chem. Eur. J., 17: 10864–10870. doi:10.1002/chem.201101551
The supporting information file contains energetic and structural data on various Cu(I)-ring species, calculated at different theory level. Additional images of these ring species are also present.
Further material (the publisher version, a simple explanation of the results, a poster, and a movie) can be found at the links below.
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Categories
- Other chemical sciences not elsewhere classified
- Analytical chemistry not elsewhere classified
- Analytical spectrometry
- Catalysis and mechanisms of reactions
- Inorganic materials (incl. nanomaterials)
- Macromolecular materials
- Structure and dynamics of materials
- Chemical thermodynamics and energetics
- Free radical chemistry
- Inorganic chemistry not elsewhere classified
- Organic chemistry not elsewhere classified
- Atomic and molecular physics
- Nanochemistry
- Supramolecular chemistry
- Physical properties of materials
- Physical chemistry not elsewhere classified
- Physical organic chemistry
- Theoretical quantum chemistry
- Reaction kinetics and dynamics
- Theoretical and computational chemistry not elsewhere classified
- Theory and design of materials
- Transition metal chemistry
- Nanofabrication, growth and self assembly
- Nanomaterials
- Nanoscale characterisation
- Nanotechnology not elsewhere classified
Keywords
copperCureduction reactionsCu catalystsCVDchemical vapor depositionmass Spectrometric StudyESI-MSesi-msfragment ion massesFragmentation Reactionsfragmentation mechanismscyclization reactionsintramolecular reductionmodeling and simulationFirst Principles Simulationsfirst principles molecular dynamicsQuantum Chemical CalculationsDensity Functional Theory Studycomputational modelsdiaminediketonatestransition metal compoundstransition metal oxidesfragmentation patternscopper catalystscopper complexesdecomposition productsdecomposition reactionsredox reactionsreductive cyclizationselectron transferelectron transfer pathwayTransition state structuresChemical Sciences not elsewhere classifiedAnalytical Chemistry not elsewhere classifiedAnalytical SpectrometryCatalysis and Mechanisms of ReactionsChemical Characterisation of MaterialsChemical Thermodynamics and EnergeticsFree Radical ChemistryInorganic ChemistryInorganic Chemistry not elsewhere classifiedOrganic ChemistryOrganic Chemistry not elsewhere classifiedMolecular PhysicsNanochemistry and Supramolecular ChemistryPhysical Chemistry of MaterialsPhysical Chemistry not elsewhere classifiedPhysical Organic ChemistryQuantum ChemistryReaction Kinetics and DynamicsSupramolecular ChemistryTheoretical and Computational Chemistry not elsewhere classifiedTheory and Design of MaterialsTransition Metal ChemistryNanofabrication, Growth and Self AssemblyNanomaterialsNanoscale CharacterisationNanotechnology not elsewhere classified
