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Novel Triplet Ground State Silylenes: H–N = C = Si, CN–N = C = Si, and MeO–N = C = Si at DFT Levels

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Summary.

DFT calculations predict the existence of three new triplet ground state silylenes: [(imino)-methylene]silylene, [(cyanoimino)methylene]silylene, and [(methoxyimino)methylene]silylene, with CNSiX formula (X = H, CN, and OMe, respectively). Discrepancies are found between DFT and some ab initio results.

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Authors and Affiliations

  1. Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran

    Mohammed Z. Kassaee, Seyed M. Musavi, Foad Buazar & Mehdi Ghambarian

Authors
  1. Mohammed Z. Kassaee
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  2. Seyed M. Musavi
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  3. Foad Buazar
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  4. Mehdi Ghambarian
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Correspondence to Mohammed Z. Kassaee.

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Kassaee, M., Musavi, S., Buazar, F. et al. Novel Triplet Ground State Silylenes: H–N = C = Si, CN–N = C = Si, and MeO–N = C = Si at DFT Levels. Monatsh. Chem. 137, 1385–1400 (2006). https://doi.org/10.1007/s00706-006-0539-4

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