ICCAS OpenIR
THE RELATION OF N-15 NMR, H-1 NMR CHEMICAL SHIFTS WITH THE ATOMIC NET CHARGE AND MOLECULAR STRUCTURES
Chen Yuehua1; Guo Guolin2; Shen Qifeng3; Zhao Yufen4; Xi Shekang4; Ji Gaijiao4; Song Aiteng4
1987
Source PublicationACTA PHYSICO-CHIMICA SINICA
ISSN1000-6818
Volume3Issue:6Pages:632-637
AbstractThe acetyl, sulfonyl and phosphoryl are three amino protecting groups. The natural abundance N-15-NMR of their derivatives of the phenylethylglycine and beta-phenylethylamine has been studied. We found that there are great difference in the chemical shifts of the three protected compounds, delta N-15 is shifted to upfield in turn. Among these three amino protecting groups, the diisopropoxyphosphinyl one produces the least deshielding effect, while the acetyl group gives the strongest deshielding effect, and the tosyl group is in the middle. The trend of deshieding effect of the three protecting groups occured also in the H-1 NMR (Table 1). Furthermore, we have studied the relation of chemical shifts to the atomic charge and molecular structures by means of semiempirical molecular orbital CNDO/2 and X-ray diffraction of single crystal structure analysis.
DOI10.3866/PKU.WHXB19870614
Indexed BySCI
Language英语
WOS IDWOS:000207569600014
PublisherPEKING UNIV PRESS
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74020
Collection中国科学院化学研究所
Corresponding AuthorChen Yuehua
Affiliation1.Peking Univ, Dept Chem, Beijing, Peoples R China
2.Peking Univ, Inst Phys Chem, Beijing, Peoples R China
3.Beijing Agr Univ, Beijing, Peoples R China
4.Acad Sinica, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Chen Yuehua,Guo Guolin,Shen Qifeng,et al. THE RELATION OF N-15 NMR, H-1 NMR CHEMICAL SHIFTS WITH THE ATOMIC NET CHARGE AND MOLECULAR STRUCTURES[J]. ACTA PHYSICO-CHIMICA SINICA,1987,3(6):632-637.
APA Chen Yuehua.,Guo Guolin.,Shen Qifeng.,Zhao Yufen.,Xi Shekang.,...&Song Aiteng.(1987).THE RELATION OF N-15 NMR, H-1 NMR CHEMICAL SHIFTS WITH THE ATOMIC NET CHARGE AND MOLECULAR STRUCTURES.ACTA PHYSICO-CHIMICA SINICA,3(6),632-637.
MLA Chen Yuehua,et al."THE RELATION OF N-15 NMR, H-1 NMR CHEMICAL SHIFTS WITH THE ATOMIC NET CHARGE AND MOLECULAR STRUCTURES".ACTA PHYSICO-CHIMICA SINICA 3.6(1987):632-637.
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