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Palladium(0) alkyne complexes as active species: a DFT investigation
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0002-1553-4027
Technical University of Denmark.
2005 (English)In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, no 33, 4196-4198 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2005. no 33, 4196-4198 p.
Keyword [en]
DENSITY-FUNCTIONAL CALCULATIONS, OXIDATIVE ADDITION, DISUBSTITUTED ACETYLENES, ARYL HALIDES, HYDROVINYLATION, SOLVATION, NITROGEN
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-48886DOI: 10.1039/b507784bISI: 000231246300018OAI: oai:DiVA.org:kth-48886DiVA: diva2:488398
Note
QC 20120202Available from: 2012-02-01 Created: 2011-11-23 Last updated: 2017-12-08Bibliographically approved

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Ahlquist, Mårten

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