- 作者: 徐為人、王建武、劉成卜、陳正隆
- 作者服務機構: School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, P. R. China
- 中文摘要:
The isomerization between Z and E isomers of benzaldoximes in different solvents were measured by TLC method. The experimental results show that acid solvents catalyze this inter-conversion process dramatically. Solution state NMR measurements also show very different spectra for Z and E isomers of benzaldoximes in different solvents. All this suggests that the acidity of solvent is a very important factor to affect the inter-conversion process.
Theoretical investigations of Z to E inter-conversion of benzaldoximes in different solvents were carried out by DFT calculations at B3LYP/6-311+G** level. The calculations show that the barrier from Z to E in the presence of acid is much lower than that without acid. This agrees with the experimental data very well. The calculated structure in the transition state is helpful for the understanding of the inter-conversion mechanism. - 英文摘要: --
- 中文關鍵字: NMR measurement; Theoretical calculation; Isomerization; Benzaldoxime.
- 英文關鍵字: --