engleski

Calculation of NMR Parameters in Carbocation Chemistry

Calculation of NMR parameters such as chemical shift and spin-spin coupling constants have evolved into an important tool in carbocation chemistry as well as in related fields such as silylenium ion and borane chemistry which are not considered in this chapter. Computational NMR methods have provided detailed information into structure and stabilization modes of carbocations and deeper insights into intriguing questions and long-standing controversies in carbocation chemistry. The ever lasting need for better tools and methods exploring the field has triggered the further development of NMR computational methods. Carbocation chemistry thus serves as a forerunner for a close integration of experimental and computational approaches in all areas of chemistry.

carbocations, NMR properties, quantum chemical calculations

nije evidentirano