Borotropy: the Mechanism of Boron Transfer Between Adjacent N Atoms of Pyrazol‐1‐yl Rings

This work examines theoretically the problem of migration borane groups between nitrogen atoms pyrazolyl rings. We have studied as a model BH2 derivatives pyrazol-1-yl to determine effects substituents on pyrazole ring; also 1-(9-borabicyclo[3.3.1]nonan-9-yl)-1H-pyrazoles compare calculated barriers with experimental ones well steric effects, i.e. how buttressing effect increases rate. The interacting quantum methodology has been used for partitioning energy systems in their stationary points into contribution and group mutual interaction.