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.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Boys, S. F., & Bernardi, F. (1970) · Molecular Physics · doi:10.1080/00268977000101561 · Cited by 22,188
The influence of polarization functions on molecular orbital hydrogenation energies
Hariharan, P. C., & Pople, J. A. (1973) · Theoretica Chimica Acta · doi:10.1007/bf00533485 · Cited by 15,816
Note on an Approximation Treatment for Many-Electron Systems
Møller, C., & Plesset, M. S. (1934) · Physical Review · doi:10.1103/physrev.46.618 · Cited by 14,614
Atoms in Molecules: A Quantum Theory
Bader, R. F. W. (1990) · doi:10.1093/oso/9780198551683.001.0001 · Cited by 12,659
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
Frisch, M. J., Pople, J. A., & Binkley, J. S. (1984) · The Journal of Chemical Physics · doi:10.1063/1.447079 · Cited by 8,561
The development of versions 3 and 4 of the Cambridge Structural Database System
Allen, F. H., Davies, J. E., Galloy, J. J., Johnson, O., Kennard, O., Macrae, C. F., Mitchell, E. M., Mitchell, G. F., Smith, J. M., & Watson, D. G. (1991) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00002a004 · Cited by 1,308
Schleyer, P. V. R. (2001) · Chemical Reviews · doi:10.1021/cr0103221 · Cited by 783
To What Extent Can Aromaticity Be Defined Uniquely?
Cyrañski, M. K., Krygowski, T. M., Katritzky, A. R., & Schleyer, P. V. R. (2002) · The Journal of Organic Chemistry · doi:10.1021/jo016255s · Cited by 727
Is polarization important in cation-π interactions?
Cubero, E., Luque, F. J., & Orozco, M. (1998) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.95.11.5976 · Cited by 263
An Attractive Interaction between the π-Cloud of C6F6and Electron-Donor Atoms
Alkorta, I., Rozas, I., & Elguero, J. (1997) · The Journal of Organic Chemistry · doi:10.1021/jo970125v · Cited by 180
Self-citationCan Lone Pairs Bind to a π System? The Water···Hexafluorobenzene Interaction
Gallivan, J. P., & Dougherty, D. A. (1999) · Organic Letters · doi:10.1021/ol990577p · Cited by 176
On the Nature of the Water−Hexafluorobenzene Interaction
Danten, Y., Tassaing, T., & Besnard, M. (1999) · The Journal of Physical Chemistry A · doi:10.1021/jp984726h · Cited by 98
Cited by
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
Salonen, L. M., Ellermann, M., & Diederich, F. (2011) · Angewandte Chemie International Edition · doi:10.1002/anie.201007560 · Cited by 1,539
The Bright Future of Unconventional σ/π‐Hole Interactions
Bauzá, A., Mooibroek, T. J., & Frontera, A. (2015) · ChemPhysChem · doi:10.1002/cphc.201500314 · Cited by 710
Macrocycles as Ion Pair Receptors
He, Q., Vargas-Zúñiga, G. I., Kim, S. H., Kim, S. K., & Sessler, J. L. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00734 · Cited by 319
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
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
