Directionality of π-holes in nitro compounds

Chem Commun (Camb). 2015 Jan 28;51(8):1491-3. doi: 10.1039/c4cc09132a.

Abstract

A statistical survey of the Cambridge Structural Database reveals that the interaction between the π-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).

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Databases, Chemical
  • Molecular Structure
  • Nitro Compounds / chemistry*

Substances

  • Nitro Compounds