Issue 46, 2009

Synthesis, structure, and first-principles calculations of [TcBr2(PMe3)4] and [Tc2Br4(PMe3)4] complexes

Abstract

The new technetium(II) complexes, [TcBr2(PMe3)4] 1 and [Tc2Br4(PMe3)4] 2, were synthesized from TcBr3 and characterized by single-crystal X-ray diffraction (XRD), first-principles calculations and UV-vis spectroscopy. Complex 1 is the first of the trans-dihalo-tetrakis-trialkylphosphine metallate(II) class reported for group VII, while 2 is the first Tc(II) dimer with bromide ligands. Compounds 1 and 2 are isostructural with their molybdenum analogs. XRD analysis indicates that 1 crystallizes in the tetragonal space group I[4 with combining macron]2m, with D2d molecular point-group symmetry, and with Tc–Br = 2.5925(7) Å and Tc–P = 2.4213(11) Å. Compound 2 crystallizes in the monoclinic space group C2/c with Tc–Br = 2.520(1) Å, Tc–P = 2.441(1) Å and Tc–Tc = 2.1316(5) Å. Density functional theory (DFT) calculations for 1 and 2, as well as for the molybdenum homologues, are in good overall agreement with the XRD structural data.

Graphical abstract: Synthesis, structure, and first-principles calculations of [TcBr2(PMe3)4] and [Tc2Br4(PMe3)4] complexes

  • This article is part of the themed collection: FIGIPAS 2009

Supplementary files

Article information

Article type
Paper
Submitted
07 Aug 2009
Accepted
22 Sep 2009
First published
19 Oct 2009

Dalton Trans., 2009, 10338-10342

Synthesis, structure, and first-principles calculations of [TcBr2(PMe3)4] and [Tc2Br4(PMe3)4] complexes

F. Poineau, P. F. Weck, P. M. Forster, A. P. Sattelberger and K. R. Czerwinski, Dalton Trans., 2009, 10338 DOI: 10.1039/B915968A

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