Conformation and rotation barriers of substituted glyoxylic acid amides

被引：7

作者：

Spaeth, M

Plischka, P

Bohnen, FM

HerbstIrmer, R

Laatsch, H

机构：

[1] UNIV GOTTINGEN,INST ORGAN CHEM,D-37077 GOTTINGEN,GERMANY

[2] UNIV GOTTINGEN,INST ANORGAN CHEM,D-3400 GOTTINGEN,GERMANY

来源：

JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG | 1997年 / 339卷 / 03期

关键词：

D O I：

10.1002/prac.19973390143

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Semiempirical calculations predict an orthogonal orientation of the carbonyl groups in tertiary glyoxylic acid amides, which is in good agreement with an X-ray structure analysis of 5. Due to the influence of the a-carbonyl group, the rotation barrier in the substituted glyoxylic acid amides 2a-d, 3a, 3b, and 4-6 (Delta G(c)(#)=84-92 kJ mol(-1)) is about 10 kJ/mol higher than in simple acid amides, as was found by dynamic NMR line shape analysis.

引用

页码：243 / 249

页数：7

共 27 条

[1] NUCLEAR MAGNETIC RESONANCE METHODS FOR DETERMINING CHEMICAL-EXCHANGE RATES [J].