Application of Computational Chemistry in Identification for Chiral Compounds
Ren Jie; Zhu Hua-Jie
AbstractStudy 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.
KeywordChiral Compounds Optical Rotation Calculation (13)c Nmr Calculation Matrix Configuration Determination
Subject AreaChemistry, Multidisciplinary
Indexed BySCI
WOS IDWOS:000272151100001
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
AffiliationChinese Acad Sci, Kunming Inst Bot, Organ Synth & Nat Prod Chem Lab, State Key Lab Phytochem & Plant Resources W China, Kunming 650204, Peoples R China
Recommended Citation
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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