Journal
CHEMICAL COMMUNICATIONS
Volume 54, Issue 76, Pages 10742-10745Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cc06797j
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- research programme 'VIDI'
- Netherlands Organisation for Scientific Research (NWO) [723.015.006]
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A thorough analysis of the Cambridge Structure Database shows that -hole/n* interactions with acetonitrile are abundant in the solid state, particularly when acetonitrile is coordinated to a metal. The interaction is weakly directional (P 1.5) and high level computations suggest a complexation energy of about -5 kcal mol(-1).
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