Jump to main content
Jump to site search

Issue 28, 2009
Previous Article Next Article

An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity

Author affiliations

Abstract

The physico-chemical properties of the β-diketonate diamine Cu(II) compound with hfa (1,1,1,5,5,5-hexafluoro-2-4-pentanedionate) and TMEDA (N,N,N′,N′ tetramethylethylenediamine), Cu(hfa)2·TMEDA, have been thoroughly investigated via an integrated multi-technique experimental–computational approach. In the newly found orthorhombic polymorph, as revealed by low temperature single-crystal X-ray studies, the complex is present as a monomer with a distorted octahedral geometry at the Cu(II) centre. The compound sublimates, without premature side decompositions, at 343 K and 10−3 Torr. The structural, vibrational, electronic and thermal behavior of the neutral Cu(hfa)2·TMEDA complex has been investigated along with its fragmentation pathways, initiated by the release of an anionic hfa ligand with formation of a positive Cu(hfa)·TMEDA+ ion. Joint experimental and theoretical analyses led to the rationalization of the first fragmentation steps in terms of the Cu(II)–ligands bonding properties and Jahn–Teller distortion. The present study suggests applications of Cu(hfa)2·TMEDA as a precursor for copper and copper oxide materials by Chemical Vapor Deposition.

Graphical abstract: An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity

Back to tab navigation

Supplementary files

Publication details

The article was received on 02 Mar 2009, accepted on 29 Apr 2009 and first published on 28 May 2009


Article type: Paper
DOI: 10.1039/B904145A
Citation: Phys. Chem. Chem. Phys., 2009,11, 5998-6007
  •   Request permissions

    An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity

    G. Bandoli, D. Barreca, A. Gasparotto, R. Seraglia, E. Tondello, A. Devi, R. A. Fischer, M. Winter, E. Fois, A. Gamba and G. Tabacchi, Phys. Chem. Chem. Phys., 2009, 11, 5998
    DOI: 10.1039/B904145A

Search articles by author

Spotlight

Advertisements