π-Hole/n→π* interactions with acetonitrile in crystal structures
| Authors |
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| Publication date | 28-09-2018 |
| Journal | Chemical Communications |
| Volume | Issue number | 54 | 76 |
| Pages (from-to) | 10742-10745 |
| Number of pages | 4 |
| Organisations |
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| Abstract | A thorough analysis of the Cambridge Structure Database shows that π-hole/n→π* 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. |
| Document type | Article |
| Note | With supplementary file |
| Language | English |
| Published at |
https://doi.org/10.1039/c8cc06797j
(Final published version)
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