7787-47-5Relevant articles and documents
Crystal structure of [BeCl2(15-Crown-5)]
Neumueller, Bernhard,Dehnicke, Kurt,Puchta, Ralph
, p. 1473 - 1476 (2008)
Single crystals of [BeCl2(15-crown-5)] (1) were obtained from dichloromethane solutions of BeCl2 in the presence of the equivalent amount of 15-crown-5 and characterized by IR spectroscopy and X-ray diffraction. Space group P21/c, Z = 4, lattice dimensions at 100 K: a = 1036.2(1), b = 1071.1(1), c = 1360.1(1) pm, β = 109.86(1)°, R 1 = 0.0225. The structure determination shows no disorder, all hydrogen positions were refined isotropically. The results are in contrast to the previously reported crystal structure determination in the space group P21nb. The beryllium atom of 1 forms a BeO2C2 five-membered heterocycle with terminal chlorine atoms to give a distorted tetrahedral coordination with distances Be-O 166.5(2), 169.9(2) pm, and Be-Cl 195.8(2), 197.8(2) pm. The structural results are in good agreement with DFT calculations on B3LYP/6-311+G** level.
Syntheses, Vibrational Spectra and Crystal Structures of the Chloroberyllates (Ph4P)2[BeCl4] and (Ph 4P)2[Be2Cl6]
Neumüller, Bernhard,Weller, Frank,Dehnicke, Kurt
, p. 2195 - 2199 (2003)
Beryllium dichloride reacts with tetraphenylphosphonium chloride in dichloromethane depending on the molar ratio to give the readily soluble chloroberyllates (Ph4P)2[BeCl4] · 2.5CH2Cl2 (1·2.5CH2Cl2) and (Ph4P)2[Be2Cl6]·2CH 2Cl2 (2·2CH2Cl2), respectively. Both compounds are characterized by crystal structure determinations. 1·2.5CH2Cl2: Space group P1?, Z = 2, lattice dimensions at 193 K: a = 1185.7(1), b = 1244.5(1), c = 1939.3(2) pm, α = 77.62(1)°, β = 74.13(1)°, γ = 68.17(1)°, R1 = 0.0416. The [BeCl4]2- ion forms tetrahedra without special site symmetry. 2·2CH2Cl 2: Space group P1?, Z = 1, lattice dimensions at 193 K: a = 985.3(1), b = 1107.6(1), c = 1344.7(1) pm, α = 65.45(1)°, β = 79.12(1)°, γ = 78.49(1)°, R1 = 0.0361. The [Be 2Cl6]2- ion forms chloro-bridged double tetrahedra with site symmetry 1? (Ci). Both compounds lose the included dichloromethane in vacuo. The vibrational spectra (IR, Raman) of 1 and 2 are reported.
A facile synthesis for BeCl2, BeBr2 and BeI2
Müller, Matthias,Pielnhofer, Florian,Buchner, Magnus R.
, p. 12506 - 12510 (2018/09/27)
Here we present a facile synthesis for anhydrous BeCl2, BeBr2 and BeI2 from the elements under mild conditions. While this method delivers pure BeI2 directly, BeCl2 and BeBr2 were further purified by vacuum sublimation. Complete sets of solid state IR and Raman spectroscopic and X-ray powder diffraction data of these beryllium halides were collected including the previously missing IR and Raman spectra of BeBr2 and BeI2. All halides were additionally investigated by quantum chemical calculations. This allowed an assignment of the IR and Raman modes, which had never been done before on any beryllium halide and allowed interpretation of the experimental data as well as the differentiation of polymorphs.
About the reaction of BeCl2 with the carbodiphosphorane addition compound O2C←C(PPh3)2 and its hydrolysis product Ph3PCHP(O)Ph2
Petz, Wolfgang,Dehnicke, Kurt,Neumueller, Bernhard
, p. 1761 - 1768 (2012/01/04)
Abstract. Reaction of BeCl2 and (PPh4)[Be 2Cl6] with Ph3PCHP(O)Ph2 (2) and of BeCl2 with O2C←C(PPh3)2 (3) were studied under various conditions. Whereas the addition compound of 2 with BeCl2 could only traced by 31P NMR spectroscopy the molecular structure of the O-addition compound [Ph3PCH 2P(OBeCl3)Ph2]·0.75CH2Cl 2 (5) from 2 and (PPh4)[Be2Cl6] could be performed. From 3 and BeCl2 in dichloromethane crystals of (H2C{PPh3}2)[BeCl4] (6) and (H 2C{PPh3}2)Cl2·CH 2Cl2 (7) separated. The cluster [Be6(OH) 6Cl5(O2C2{PPh3} 2)3]Cl(8) formed upon unintentionally admitting some humidity to the initial reaction mixture. In 8 each of the bidentate ligands 3 bridges two different beryllium atoms via the oxygen atoms. All compounds are characterized by X-ray diffraction analyses. Copyright
