Issue 1, 2009
From the journal:

Physical Chemistry Chemical Physics

Carbonyl copper(i) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methaneligands: a DFT study†

Maurizio Casarin,*ab   Luciano Pandolfoa  and  Andrea Vittadinib  

* Corresponding authors

a Dipartimento di Scienze Chimiche, via Francesco Marzolo 1, Padova, Italy
E-mail: maurizio.casarin@unipd.it
Fax: +39 049 8275161
Tel: +39 049 8275164

b CR-INSTM “Village”, and, Istituto di Scienze e Tecnologie Molecolari, via Francesco Marzolo 1, Padova, Italy

Abstract

Theoretical evidence supporting the use of hydrotris(1,2,4-triazolyl)borate (ttz) ligands as a proper alternative to the hydrotris(pyrazolyl)borate (tp) ones is provided by density functional calculations.

Graphical abstract: Carbonyl copper(i) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study

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Article information

DOI
https://doi.org/10.1039/B815095H
Article type
Communication
Submitted
29 Aug 2008
Accepted
30 Oct 2008
First published
18 Nov 2008

Phys. Chem. Chem. Phys., 2009,11, 94-96

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Carbonyl copper(I) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study

M. Casarin, L. Pandolfo and A. Vittadini, Phys. Chem. Chem. Phys., 2009, 11, 94 DOI: 10.1039/B815095H

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