What is it about?
The π-hole of triphosphorus hydride (P3H3) and its derivatives Z3X3 (Z = P, As, X = H, F, Cl, Br) was discovered and analyzed. MP2/aug-cc-pVDZ calculations were performed on the π-hole interactions in the HCN•••Z3X3 complexes and mutual influence between π-hole interaction and the hydrogen bond in the HCN•••HCN•••Z3X3 and HCN•••Z3X3•••HCN complexes.
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Why is it important?
Noncovalent interactions, such as σ-hole and π-hole bonding interactions, play an essential role in supramolecular chemistry, crystal engineering, nanomaterial design, and molecular biology.
Read the Original
This page is a summary of: Theoretical insights into the π-hole interactions in the complexes containing triphosphorus hydride (P3H3) and its derivatives, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, March 2017, International Union of Crystallography,
DOI: 10.1107/s2052520616019223.
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