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| Effect of substituents (NH_2,OH,F) on structures and stability of lithofluorosilylenoids | |
| 引用本文： | 冯大诚,冯圣玉,邓从豪. Effect of substituents (NH_2,OH,F) on structures and stability of lithofluorosilylenoids[J]. 中国科学B辑(英文版), 1998, 0(3) |
| 作者姓名： | 冯大诚 冯圣玉 邓从豪 |
| 作者单位： | Theoretical Chemistry Institute，Shangdong University，Ji'nan 250100，China |
| 摘 要： | Ｓｉｌｙｌｅｎｅｉｓｔｈｅｓｉｍｉｌａｒｉｔｙｏｆｓｉｌｉｃｏｎｔｏｃａｒｂｅｎｅ,ａｎｄ,ｌｉｋｅｃａｒｂｅｎｅｉｎｏｒｇａｎｉｃｒｅａｃｔｉｏｎｓ,ｉｔｐｌａｙｓａｖｅｒｙｉｍｐｏｒｔａｎｔｒｏｌｅｉｎｏｒｇａｎｏｓｉｌｉｃｏｎｒｅａｃｔｉｏｎｓ.Ｉｎｒｅｃｅｎｔｙｅａｒｓ,ｔｈｅｒｅｈａｖｅｂｅｅｎｍａｎｙｒｅｐｏｒｔｓｏｎｓｉｌｙｌｅｎｅｓｉｎｑｕａｎｔｕｍｃｈｅｍｉｃａｌｒｅｓｅａｒｃｈｅｓ[1—3].Ｉｎｖｅｓｔｉｇａｔｉｏｎｏｎｉｔｓｏｒｇａｎｉｃｒｅａｃｔｉｏｎｓｈｏｗｓｔｈａｔｒｅａｌｉ… |
Effect of substituents (NH_2,OH,F) on structures and stability of lithofluorosilylenoids |
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| FENG Dacheng,FENG Shengyu and DENG Conghao. Effect of substituents (NH_2,OH,F) on structures and stability of lithofluorosilylenoids[J]. Science in China(Chemistry), 1998, 0(3) | |
| Authors: | FENG Dacheng FENG Shengyu DENG Conghao |
| Abstract: | Isomeric structures and energies of three kinds of lithofluorosilylenoids, R-2SiLiF (R=NH-2, OH, F) were studied using the ab 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 NH-2>OH>F because of the conjugation between NH-2, OH or F and Si atom. The interaction of substituents R with Li atom makes R-2SiLiF 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>NH-2. Inductive effect of substituents influences the thermal stability of the linear structure of silylenoids.$$$$ |
| Keywords: | ab initio calculation silylenoids thermal stability. |
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