Synthesis, molecular structure and computational study of a ruthenium bis(thietane) complex

Paul M. Nave, M. Draganjac, Bryon Ward, A. W. Cordes, Tosha M. Barclay, Thomas R. Cundari, Jorge Juan Carbó, Feliu Maseras

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Abstract

Dissolution of [CpRu(PPh3)(SC4H8)2] CF3SO3in thietane/CH2Cl2with stirring yields the title compound [CpRu(PPh3)(SC3H6)2] CF3SO3(I). The single crystal X-ray structure shows a disparity in the puckering of the two thietanes. One thietane ligand is near-planar, with torsion angles of ±1.5(5)° for CSCC and ±1.8(4)° for CCCS; the second thietane ligand of I has torsion angles of ±21.0(4)° for CSCC and ±25.0(3)° for CCCS. Compound I contains both the largest and the smallest torsion angles for any complex reported. Theoretical calculations were carried out for both thietane and for I using the GAMESS and GAUSSIAN 98 packages. © 2001 Elsevier Science B.V.
Original languageEnglish
Pages (from-to)13-18
JournalInorganica Chimica Acta
Volume316
Issue number1-2
DOIs
Publication statusPublished - 7 May 2001

Keywords

  • Crystal structures
  • Cyclopentadienyl complexes
  • Ruthenium complexes
  • Thietane complexes

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    Nave, P. M., Draganjac, M., Ward, B., Cordes, A. W., Barclay, T. M., Cundari, T. R., Carbó, J. J., & Maseras, F. (2001). Synthesis, molecular structure and computational study of a ruthenium bis(thietane) complex. Inorganica Chimica Acta, 316(1-2), 13-18. https://doi.org/10.1016/S0020-1693(01)00355-3