A comparative study of the stereochemistry of 4-acetyl-, formyl- and carboxy-benzo-9-crown-3 ether via X-ray crystallography and solid state and solution NMR spectroscopy

被引：7

作者：

Buchanan, GW

Rastegar, MF

Yap, GPA

机构：

[1] Carleton Univ, Ottawa Carleton Chem Inst, Dept Chem, Ottawa, ON K1S 5B6, Canada

[2] Univ Ottawa, Ottawa Carleton Chem Inst, Dept Chem, Ottawa, ON K1N 6N5, Canada

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2001年 / 561卷 / 1-3期

关键词：

crown ethers; solids; stereochemistry;

D O I：

10.1016/S0022-2860(00)00775-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The X-ray crystal structures for the title molecules show remarkably similar geometries in the crown ether regions compared to benzo-9-crown-3 ether itself. Solid phase C-13 NMR chemical shift differences of ca. 8.5 ppm are observed between the two aryl-O-C-* carbons and are explained using results of ab initio calculations previously performed on anisole. Chemical shift assignments have been verified by the use of selectively deuterated derivatives. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：43 / 54

页数：12

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