THE RELATION OF N-15 NMR, H-1 NMR CHEMICAL SHIFTS WITH THE ATOMIC NET CHARGE AND MOLECULAR STRUCTURES

doi:10.3866/PKU.WHXB19870614

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	THE RELATION OF N-15 NMR, H-1 NMR CHEMICAL SHIFTS WITH THE ATOMIC NET CHARGE AND MOLECULAR STRUCTURES
	Chen Yuehua 1; Guo Guolin 2; Shen Qifeng 3; Zhao Yufen 4; Xi Shekang 4; Ji Gaijiao 4; Song Aiteng 4
刊名	ACTA PHYSICO-CHIMICA SINICA
	1987
卷号	3 期号:6 页码:632-637
ISSN号	1000-6818
DOI	10.3866/PKU.WHXB19870614
英文摘要	The 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.
语种	英语
出版者	PEKING UNIV PRESS
WOS记录号	WOS:000207569600014
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/74019]
专题	中国科学院化学研究所
通讯作者	Chen Yuehua
作者单位	1.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
推荐引用方式 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.