Palladium(0) alkyne complexes as active species: a DFT investigation

Literature Information

Publication Date 2005-07-20
DOI 10.1039/B507784B
Impact Factor 6.222
Authors

Mårten Ahlquist, Giancarlo Fabrizi, Sandro Cacchi, Per-Ola Norrby


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Abstract

Alkynes have been found to be excellent ligands for Pd(0); the stability of a range of alkyne–Pd(0) complexes, and their reactivity in oxidative addition, have been investigated by DFT methods.

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Chemical Communications

Chemical Communications
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ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry

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