[BeCl₂(Ph₂PCH₂PPh₂)₂] - ein Donor-Akzeptorkomplex des Berylliums mit dem Bis(diphenylphosphino)methan-Liganden

Kurt Dehnicke (1) , Gernot Frenking (1) , Nicole Holzmann (1) , Bernhard Neumüller (1)

1 Chemistry

The donor-acceptor complex [BeCl₂(Ph₂PCH₂PPh₂)₂] (1*2CH₂Cl₂) was prepared from beryllium-dichloride and bis(diphenylphosphino)methane in dichloromethane suspension to give colourless single crystals, which were characterized by X-ray diffraction, IR spectra, and DFT calculations. Compound 1*2CH₂Cl₂ crystallizes monoclinically in the space group C2/c with four formula units per unit cell. Lattice dimensions at 193(2) K: a = 2339.5(2), b = 916.7(1), c = 2415.4(2) pm, β = 97.15(1)°, R₁ = 0.0386. The structure of 1 consists of distorted tetrahedral molecules with site symmetry C₂ and bond lengths Be-Cl of 196.8(2) pm and Be-P of 220.6(3) pm. Quantum chemical calculations at the RI-BP86/SV(P) level give a structure of 1 which is in very good agreement with the experimental one. The calculations predict that the bond dissociation energies of the first and second Ph₂PCH₂PPh₂ ligand from 1 are D_e = 16.8 kcal/mol and 24.3 kcal/mol, respectively.

Mots clés: Physical Sciences

Kurt Dehnicke, Gernot Frenking, Nicole Holzmann, Bernhard Neumüller. [BeCl₂(Ph₂PCH₂PPh₂)₂] - ein Donor-Akzeptorkomplex des Berylliums mit dem Bis(diphenylphosphino)methan-Liganden. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2010, 636 (9-10), pp.1772. ⟨10.1002/zaac.201000172⟩. ⟨hal-00599872⟩