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Effect of substituents (NH2, OH, F) on structures and stability of lithofluorosilylenoids

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Abstract

Isomeric structures and energies of three kinds of lithofluorosilylenoids, R2SiLiF (R = NH2, OH, F) were studied using theab initio molecular orbital theory. The calculations show that thermal stability of the three-membered ring structures of these three kinds of silylenoids decreases in the order of substituents NH2 > OH > F because of the conjugation between NH2, OH or F and Si atom. The interaction of substituents R with Li atom makes R2SiLiF have a structure with two Li-A-Si-F (A = N, O, F) four-membered rings, which is the most stable of the isomers of each of three kinds of silylenoids and whose stability decreases in the order of substituents F > OH > NH2. Inductive effect of substituents influences the thermal stability of the linear structure of silylenoids.

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Authors and Affiliations

  1. Theoretical Chemistry Institute, Shangdong University, 250100, Ji’nan, China

    Dacheng Feng, Shengyu Feng & Conghao Deng

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  1. Dacheng Feng
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  2. Shengyu Feng
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  3. Conghao Deng
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Feng, D., Feng, S. & Deng, C. Effect of substituents (NH2, OH, F) on structures and stability of lithofluorosilylenoids. Sc. China Ser. B-Chem. 41, 314–319 (1998). https://doi.org/10.1007/BF02879713

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  • DOI: https://doi.org/10.1007/BF02879713

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