Acta Phys. -Chim. Sin. ›› 1987, Vol. 3 ›› Issue (04): 430-434.doi: 10.3866/PKU.WHXB19870418

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STUDY OF THE 13C NMR CHEMICAL SHIFT ON THE THF-COORDINATED (1,1'-TRIME-THYLENEDICYCLOPENTADIENYL) (TERT-BUTYL) LANTHANIDE COMPLEX

You Xiaozeng; Wu Weixiong; Li Cun; Li Chongde; Qian Changtao   

  1. Coordination Chemistry Institute; Nanjing University
    Shanghai Institute of Organic Chemistry; Academia Sinica
  • Received:1986-01-19 Revised:1986-07-15 Published:1987-08-15

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Abstract: We have synthesized the THF-coordinated(1,1′-Trimethylenedicyclopentadienyl) (tert-butyl) lanthanide complex. The ~(13)C NMR spectrum in tetrahydrofuran-d_8 so- lution has been determined and assigned. A theoritical calculation of ~(13)C NMR che- mical shift based on our INDO/σ program has been applied to this compound as the first calculation for lanthanide complex which included f orbitals. The corela- tion between the theoretical calculation results and the experimental data is sati- sfactory.