Directionality of pi-holes in nitro compounds

作者:Bauza Antonio; Mooibroek Tiddo J*; Frontera Antonio
来源:Chemical communications, 2015, 51(8): 1491-1493.
DOI:10.1039/c4cc09132a

摘要

A statistical survey of the Cambridge Structural Database reveals that the interaction between the pi-holes of nitro groups and electron-rich atoms is somewhat directional. High-level ab initio computations indicate energies up to -6.6 kcal mol(-1).

  • 出版日期2015