Proton and Lithium Cation Binding to Some β-Dicarbonyl Compounds. A Theoretical Study

Croatica Chemica Acta

Tammiku-Taul, Jaana¹  Taul, Kristo¹  Burk, Peeter¹ 

[1]Institute of Chemistry, Tartu University, 2 Jakobi St., Tartu, 51014, Estonia

关键词: keto-enol tautomerism;    proton affinity;    lithium cation afifinity;    DFT calculations;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

DFT B3LYP/6-311+G** calculations were performed to study the proton and lithium cation binding to the acetylacetone, hexafluoroacetylacetone, diacetamide, and hexafluorodiacetamide. It was shown that the most stable Li + adduct always...

【 授权许可】

Unknown