Structural preferences in strong anion–π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction
- 19 February 2018
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in New Journal of Chemistry
- Vol. 42 (13) , 10572-10583
Abstract
Intermolecular contacts in strong anion–π and halogen-bonded complexes follow frontier orbitals (instead of most positive or negative surface potentials) of reactants.Keywords
Funding Information
- National Science Foundation (CHE-1607746)
- National Science Foundation (CHE 1625543)
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