Chemical Shift Tensors – Why Should We Care?

oleh: Christopher P. Gordon, Christophe Copéret

Format: Article
Diterbitkan: Swiss Chemical Society 2019-04-01

Deskripsi

Chemical shift tensors give valuable insights into the nature and the relative energy of frontier orbitals and their analysis allows for rationalizing the reactivities of molecules. In this article, we point out the principles that allow for the analysis of chemical shift. Through selected, illustrative examples we show how one can relate chemical shift to molecular electronic structure and thus to reactivity.