Application of Computational Chemistry in Identification for Chiral Compounds
文献类型：期刊论文
| 作者 | Ren Jie; Zhu Hua-Jie |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2009-10-10 |
| 卷号 | 30期号:10页码:1907-1918 |
| 关键词 | Chiral compounds Optical rotation calculation (13)C NMR calculation Matrix Configuration determination |
| 英文摘要 | Study on chiral compounds, especially in natural chemistry, becomes more and more important. One of the major problems that are met in the study is configuration identification. When no crystalline is obtained, or in other case, such as that too much complex correlations in 2D NMR are recorded, computational methods provide a useful tool in the study. Currently, the widely used methods include calculation of optical rotations, or determinant of matrix. By comparing these data with the experimental results, the absolute configuration can be assigned. (13)C NMR computation is an important method. This review will give introduction about uses of these methods in the configuration determination for compounds with different stereogenic centers. |
| 学科主题 | Chemistry, Multidisciplinary |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | VIBRATIONAL CIRCULAR-DICHROISM ; FUNCTIONAL THEORY CALCULATIONS ; NMR CHEMICAL-SHIFTS ; OPTICAL-ROTATION ; ABSOLUTE-CONFIGURATIONS ; NATURAL-PRODUCTS ; MOLECULAR-STRUCTURE ; PERTURBATION-THEORY ; MAGNETIC-PROPERTIES ; USEFUL MODEL |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000272151100001 |
| 公开日期 | 2012-04-05 |
| 源URL | [http://ir.kib.ac.cn/handle/151853/5040]  |
| 专题 | 昆明植物研究所_植物化学与西部植物资源持续利用国家重点实验室 |
| 作者单位 | Chinese Acad Sci, Kunming Inst Bot, Organ Synth & Nat Prod Chem Lab, State Key Lab Phytochem & Plant Resources W China, Kunming 650204, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ren Jie,Zhu Hua-Jie. Application of Computational Chemistry in Identification for Chiral Compounds[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2009,30(10):1907-1918. |
| APA | Ren Jie,&Zhu Hua-Jie.(2009).Application of Computational Chemistry in Identification for Chiral Compounds.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,30(10),1907-1918. |
| MLA | Ren Jie,et al."Application of Computational Chemistry in Identification for Chiral Compounds".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 30.10(2009):1907-1918. |
入库方式： OAI收割
来源：昆明植物研究所
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