A study of substituent effect on 1H and 13C NMR spectra of mono, di and poly substituted carbazoles

被引:6
|
作者
Bonesi, SM [1 ]
Ponce, MA [1 ]
Erra-Balsells, R [1 ]
机构
[1] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Quim Organ, CONICET,CIHIDECAR, RA-1428 Buenos Aires, DF, Argentina
关键词
D O I
10.1002/jhet.5570420519
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
H-1 and C-13 NMR spectra of several substituted carbazoles (Series 1, 2, 3, 4 and 5) were measured. Substituent chemical shifts (SCS's) and Lynch correlations of H-1 and C-13 nuclei were calculated and the substituent effect on the NMR phenomena was determined. Atomic charge densities for carbazoles of Series 1, 2, 3, 4 and 5 were calculated by using the semi empirical PM3 method. These values also show a linear correlation with the C-13 chemical shifts.
引用
收藏
页码:867 / 875
页数:9
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