Intermolecular π-hole/n→π* interactions with carbon monoxide ligands in crystal structures
| Authors |
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| Publication date | 04-11-2018 |
| Journal | Chemical Communications |
| Volume | Issue number | 54 | 85 |
| Pages (from-to) | 12049-12052 |
| Number of pages | 4 |
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| Abstract | A thorough analysis of the Cambridge Structure Database reveals that intermolecular π-hole/n→π* interactions with carbon monoxide ligands are abundant in the solid state and somewhat directional, particularly with fac-like M(CO)3 fragments (P < 4.0). High level DFT calculations suggest interacting energies up to about −10 kcal mol−1 for adducts of charge neutral complexes. |
| Document type | Article |
| Note | With supplementary file |
| Language | English |
| Published at |
https://doi.org/10.1039/c8cc07557c
(Final published version)
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