Application of Computational Chemistry in Identification for Chiral Compounds

	Application of Computational Chemistry in Identification for Chiral Compounds
	Ren Jie; Zhu Hua-Jie
	2009-10-10
发表期刊	CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
卷号	30 期号:10 页码:1907-1918
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.
关键词	Chiral Compounds Optical Rotation Calculation (13)c Nmr Calculation Matrix Configuration Determination
学科领域	Chemistry, Multidisciplinary
收录类别	SCI
语种	英语
WOS记录号	WOS:000272151100001
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/5040
专题	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.

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