[BeCl2(Ph2PCH2PPh2)2] – ein Donor‐Akzeptorkomplex des Berylliums mit dem Bis(diphenylphosphanyl)methan‐Liganden

The donor‐acceptor complex [BeCl2(Ph2PCH2PPh2)2] (1·2CH2Cl2) was prepared from beryllium dichloride and bis(diphenylphosphanyl)methane in dichloromethane suspension to give colorless single crystals, which were characterized by X‐ray diffraction, IR spectroscopy, and DFT calculations. Compound 1·2CH2Cl2 crystallizes monoclinically in 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 De = 16.8 kcal·mol–1 and 24.3 kcal·mol–1, respectively.