Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)
Đã lưu trong:
| Nhiều tác giả: | , , , |
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| Định dạng: | artículo original |
| Ngày xuất bản: | 2007 |
| Miêu tả: | The structures of two derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone) are examined using the density functional theory (DFT) hybrid functional B3LYP. Using the optimized structure of lawsone acetate, the reactivity of acyl transfer is described. Also, the nucleophilicity of the conjugate base of lawsone is predicted using the conceptual descriptors related to softness within the DFT framework |
| Quốc gia: | Kérwá |
| Tổ chức giáo dục: | Universidad de Costa Rica |
| Repositorio: | Kérwá |
| OAI Identifier: | oai:kerwa.ucr.ac.cr:10669/28885 |
| Truy cập trực tuyến: | http://onlinelibrary.wiley.com/doi/10.1002/poc.1435/abstract https://hdl.handle.net/10669/28885 |
| Từ khóa: | Naphthoquinone Active ester Enolate alkylation |