STRUCTURES AND ENERGIES OF MONOPROTONATED, DIPROTONATED, AND TRIPROTONATED UREA - NMR/AB INITIO/IGLO STUDY

被引：29

作者：

RASUL, G

PRAKASH, GKS

OLAH, GA

机构：

[1] UNIV SO CALIF,DONALD P & KATHERINE B LOCKER HYDROCARBON RES INS,LOS ANGELES,CA 90089

[2] UNIV SO CALIF,DEPT CHEM,LOS ANGELES,CA 90089

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1994年 / 59卷 / 09期

关键词：

D O I：

10.1021/jo00088a042

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The structures and NMR chemical shifts (C-13 and N-15) Of urea and its mono-, di-, and triprotonated forms were calculated using high-level ab initio and IGLO methods, respectively. The results were compared with the experimental data obtained on mono- and diprotonated urea. Triprotonated urea was not observed experimentally.

引用

页码：2552 / 2556

页数：5

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