4.7 Article

Directionality of π-holes in nitro compounds

Journal

CHEMICAL COMMUNICATIONS
Volume 51, Issue 8, Pages 1491-1493

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cc09132a

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Funding

  1. MINECO of Spain [CTQ2011-27512/BQU, CSD2010-00065]

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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).

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