Issue 33, 2005
From the journal:

Chemical Communications

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

Mårten Ahlquist,a   Giancarlo Fabrizi,b   Sandro Cacchib  and  Per-Ola Norrby*a  

* Corresponding authors

a Technical University of Denmark, Kemitorvet Building 201, Lyngby, Denmark
E-mail: pon@kemi.dtu.dk
Fax: +45 4593 3968
Tel: +45 4525 2123

b Dipartimento di Studi di Chimica e Tecnologia delle Sostanze Biologicamente Attive, Università degli Studi “La Sapienza”, P. le A. Moro 5, Rome, Italy
E-mail: sandro.cacchi@uniroma1.it
Fax: +39 (06) 4991 2780
Tel: +39 (06) 4991 2795

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.

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

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Article information

DOI
https://doi.org/10.1039/B507784B
Article type
Communication
Submitted
02 Jun 2005
Accepted
05 Jul 2005
First published
20 Jul 2005

Chem. Commun., 2005, 4196-4198

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

M. Ahlquist, G. Fabrizi, S. Cacchi and P. Norrby, Chem. Commun., 2005, 4196 DOI: 10.1039/B507784B

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