The DOI matches its Crossref record; 14 of the 14 references it cites were found in a registry or an index.
Interaction of Anions with Perfluoro Aromatic Compounds
Abstract
The complexes formed by a variety of anions with perfluoro derivatives of benzene, naphthalene, pyridine, thiophene, and furan have been calculated using DFT (B3LYP/6-31++G**) and MP2 (MP2/6-31++G** and MP2/6-311++G**) ab initio methods. The minimum structures show the anion interacting with the pi-cloud of the aromatic compounds. The interaction energies obtained range between -8 and -19 kcal mol(-1). The results obtained at the MP2/6-31++G** and MP2/6-311++G** levels are similar. However, the B3LYP/6-31++G** results provide longer interaction distances and smaller interaction energies than do the MP2 results. The interaction energies have been partitioned using an electrostatic, polarization, and van der Waals scheme. The AIM analysis of the electron density shows a variety of topologies depending on the aromatic system considered.
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Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
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The Bright Future of Unconventional σ/π‐Hole Interactions
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Macrocycles as Ion Pair Receptors
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Metadata
- Authors
- Alkorta, I., Rozas, I., & Elguero, J.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2002-06-28
- Volume
- 124
- Issue
- 29
- Pages
- 8593-8598
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2065928336
- Cited by
- 527
- References
- 14
- FWCI
- 7.98
- Type
- journal article
- Language
- en
- Open access
- closed
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