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Dative Au→Al interactions: crystallographic characterization and computational analysis.

Marc Devillard1, Emmanuel Nicolas, Andreas W Ehlers

  • 1Université de Toulouse, UPS, LHFA, 118 route de Narbonne, 31062 Toulouse (France); CNRS, LHFA, UMR 5069, 31062 Toulouse (France).

Chemistry (Weinheim an Der Bergstrasse, Germany)
|November 25, 2014
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Summary
This summary is machine-generated.

Researchers discovered novel gold-aluminum (Au→Al) interactions in new gold(I) complexes. This unique coordination behavior, involving a phosphorus-aluminum Lewis pair, influences ligand geometry and offers new insights into organometallic chemistry.

Keywords:
X-ray diffractionaluminumcoordination chemistrydensity functional calculationsgoldphosphorus

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Area of Science:

  • Organometallic Chemistry
  • Coordination Chemistry
  • Materials Science

Background:

  • The study focuses on the coordination chemistry of gold(I) complexes.
  • It investigates the behavior of geminal phosphorus-aluminum Lewis pairs in the presence of transition metals.

Purpose of the Study:

  • To evidence and characterize hitherto unknown gold-aluminum (Au→Al) interactions.
  • To explore the structural and electronic consequences of this new coordination mode.

Main Methods:

  • Synthesis of four different gold(I) complexes with varying co-ligands (alkyl, aryl, alkynyl).
  • X-ray diffraction analysis to determine the solid-state structures.
  • Density Functional Theory (DFT) calculations to analyze the electronic interactions.

Main Results:

  • Successful preparation and characterization of gold(I) complexes featuring a P-Al Lewis pair.
  • X-ray diffraction confirmed a P→Au→Al bridging coordination mode.
  • Observed significant bending in the ligand, with a 13° shrinkage of the PCAl bond angle due to the Au→Al interaction.

Conclusions:

  • A novel type of transition metal→Lewis acid interaction (Au→Al) has been discovered.
  • This interaction influences the coordination geometry of the ligand.
  • DFT calculations provide theoretical support for the observed Au→Al bonding.