0000000000364578
AUTHOR
Gernot Frenking
showing 4 related works from this author
Properties of Chemically Interesting Potential Energy Surfaces. (Reihe: Lecture Notes in Chemistry, Vol. 56.) VonD. Heidrich, W. Kliesch undW. Quapp.…
1993
Design of neutral Lewis superacids of group 13 elements.
2011
A general approach toward superstrong neutral Lewis acids, featuring both the pyramidalization of acceptor molecules and the introduction of electron-withdrawing substituents, is proposed and examined theoretically. Complexes of group 13 element derivatives with ammonia at the B3LYP and MP2 levels of theory with def2-TZVPP basis set are considered as examples. Pyramidalization of the acceptor molecule significantly increases its Lewis acidity (by 50-60 kJ mol(-1) for aluminum and gallium compounds and by 120-130 kJ mol(-1) for boron compounds). An additional increase of the complex stability of 55-75 kJ mol(-1) may be achieved by fluorination. The combined increase of the bond dissociation …