简单有机锗的固态 73Ge NMR 光谱学。

Solid-state 73Ge NMR spectroscopy of simple organogermanes.

机构信息

Department of Chemistry, The University of Western Ontario, London, Ontario, Canada.

出版信息

Chemistry. 2012 Oct 22;18(43):13770-9. doi: 10.1002/chem.201201944. Epub 2012 Sep 28.

DOI:10.1002/chem.201201944

Abstract

Germanium-73 is an extremely challenging nucleus to examine by NMR spectroscopy due to its unfavorable NMR properties. Through the use of an ultrahigh (21.1 T) magnetic field, a systematic study of a series of simple organogermanes was carried out. In those cases for which X-ray structural data were available, correlations were drawn between the NMR parameters and structural metrics. These data were combined with DFT calculations to obtain insight into the structures of several compounds with unknown crystal structures.

摘要

锗-73 由于其不利的 NMR 性质，通过 NMR 光谱法进行检查是极具挑战性的。通过使用超高（21.1 T）磁场，对一系列简单的有机锗化合物进行了系统研究。对于那些具有 X 射线结构数据的情况，NMR 参数与结构度量之间建立了相关性。这些数据与 DFT 计算相结合，以深入了解具有未知晶体结构的几种化合物的结构。