引用本文:
李邨, 吴伟雄, 彭新, 巢启荣, 游效曾, 戴安邦. 1,1-双取代二茂铁化合物的13C核磁共振研究[J]. 物理化学学报,
1986, 2(01): 73-76.
doi:
10.3866/PKU.WHXB19860112
Citation: Li Cun, Wu Weixiong, Pen Xin, Chao Qirong, You Xiaozeng, Dai Anbang. 13C NMR CHEMICAL SHIFT CALCULATION FOR THE 1, 1'-DISUBSTITUTED FERROCENE COMPOUNDS[J]. Acta Physico-Chimica Sinica, 1986, 2(01): 73-76. doi: 10.3866/PKU.WHXB19860112
Citation: Li Cun, Wu Weixiong, Pen Xin, Chao Qirong, You Xiaozeng, Dai Anbang. 13C NMR CHEMICAL SHIFT CALCULATION FOR THE 1, 1'-DISUBSTITUTED FERROCENE COMPOUNDS[J]. Acta Physico-Chimica Sinica, 1986, 2(01): 73-76. doi: 10.3866/PKU.WHXB19860112
1,1-双取代二茂铁化合物的13C核磁共振研究
English
13C NMR CHEMICAL SHIFT CALCULATION FOR THE 1, 1'-DISUBSTITUTED FERROCENE COMPOUNDS
Abstract:
Two 1,1'-disubstituted ferrocene organometallic compounds 1,1'-dihydroxy-methylferrocene (Ⅰ) and 1,1'-diformylferrocene (Ⅱ) have been synthesised. The ~(13)C NMR spectra in CDCl_3 solution have been determined and assigned. A theoritical calculation of ~(13)C NMR chemical shift based on our INDO/σ program has been applied to these two compounds which included d orbitals. These are the most complicated compounds up to now for the chemical shift calculation, It is satisfied for the trend between the theoritical calculation and experiment.
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