1,1-双取代二茂铁化合物的~(13)C核磁共振研究

1951年二茂铁的发现,为有机金属配合物的研究开辟了一个全新的领域。关于二茂铁衍生物的成键和结构已进行过不少讨论。一般认为其稳定性主要来自于金属d轨道和碳氢化合物π电子的重叠。曾经用各种物理方法对它们进行过研究。但至今尚未见对它们的~(13)C核磁共振谱的系统报道。本文合成了两个双取代二茂铁化合物1,1′-二茂铁二甲醇(Ⅰ)和1,1′-二茂铁二甲醛(Ⅱ),对它们进行了~(13)C核磁共振谱的测定,并将实验结果和我们的INDO/σ理论计算进行了比较,得到了较为满意的结果。     

1,1-双取代二茂铁化合物的13C核磁共振研究

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.     

分子电子器件的化学研究

在电子工程技术领域中,经历了电子管、晶体管、集成电路、大规模集成电路和超大规模集成电路等五个阶段后,已能在指甲大小的芯片上制成几十万个元件。然而,计算和实验表明,     

A new pentacyclic triterpene, gmeliniin A, from Echinops gmelinii Turcz

Gmeliniin A, a new pentacyclic triterpene of ursane series isolated from the aerial parts of Echinops gmelinii, is elucidated structurally as 1 on the basis of 1D and 2D NMR spectroscopic studies.