185340-13-0Relevant academic research and scientific papers
The evaluation of singlet-triplet separations for [W2(μ-H)(μ-CL)CL4(μ-dppm)2] and [W2(μ-H)2 (μ-O2CC6H5)2CL 2(P(C6H5)3)2] based on 31P NMR and crystallographic data
Carlson-Day, Kathryn M.,Concolino, Thomas E.,Eglin, Judith L.,Lin, Chun,Ren, Tong,Valente, Edward J.,Zubkowski, Jeffrey D.
, p. 4469 - 4478 (1996)
The singlet-triplet separations for the edge-sharing bioctahedral (ESBO) complex W2(μ-H)(μ-Cl)(Cl4(μ-dppm)2 · (THF)3 (II) has been studied by 31P NMR spectroscopy. The structural characterization of [W2(μ-H)2(μ-O2CC6H 5)2Cl2(P(C6H5) 3)2] (I) by single-crystal X-ray crystallography has allowed the comparison of the energy of the HOMO-LUMO separation determined using the Fenske-Hall method for a series of ESBO complexes with two hydride bridging atoms, two chloride bridging atoms and the mixed case with a chloride and hydride bridging atom. The complex representing the mixed case, [W2(μ-H)(μ-Cl)Cl4(μ-dppm)2 · (THF)3] (II), has been synthesized and the value of -2J determined from variable-temperature 31P NMR spectroscopy.
