|
|||||
|
|
The evaluation of singlet-triplet separations for [W2(μ-H)(μ-Cl)Cl4(μ-dppm)2] and [W2(μ-H)2 (μ-O2CC6H5)2(P(C6H5)3)2] based on P NMR and crystallographic data |
|
| Authors: | Kathryn M. Carlson-Day Thomas E. Concolino Judith L. Eglin Chun Lin Tong Ren Edward J. Valente Jeffrey D. Zubkowski |
| Affiliation: | Department of Chemistry, Mississippi State University, Mississippi State, MS 39762, U.S.A.;Department of Chemistry, Florida Institute of Technology, Melbourne, FL 32901, U.S.A.;Department of Chemistry, Mississippi College, Clinton, MS 39058, U.S.A.;Department of Chemistry, Jackson State University, Jackson, MS 39217, U.S.A. |
| Abstract: | 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-O2CC6H5)2Cl2(P(C6H5)3)2] (I) by single-crystal X-ray crystallography has allowed the comparison of the energy of the HOMOLUMO 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. |
| Keywords: | metal-metal bonds edge-sharing bioctahedral single-triplet separation |
| 本文献已被 ScienceDirect 等数据库收录！ | |