Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4
详细信息 查看全文
- 作者：Alejandro F. Maldonado ; aleoml@yahoo.com.ar" class="auth_mail" title="E-mail the corresponding author ; Gustavo A. Aucar
- 关键词：Reference value ; Chemical shift ; Polarization propagators ; NMR
- 刊名：Chemical Physics
- 出版年：2015
- 出版时间：28 September 2015
- 年：2015
- 卷：459
- 期：Complete
- 页码：125-130
- 全文大小：377 K
文摘
- •
New highly accurate reference values for the NMR shielding of Si and Ge were obtained.
- •
A procedure that mix experimental chemical shift and theoretical shielding values was applied.
- •
We found a linear relationship among the shielding of Ge and Si in tetrahedral molecules.
- •
Theoretical chemical shifts of the whole set of molecular systems are close to the known experimental results.