(Q30498350)

19 October 2017

Are anion/pi interactions actually a case of simple charge-dipole interactions? (English)

1 reference

19 October 2017

1

Steven E Wheeler

1 reference

19 October 2017

2

K N Houk

1 reference

PMCID

3049731

19 October 2017

language of work or name

English

0 references

publication date

1 August 2010

1 reference

Journal of Physical Chemistry A

19 October 2017

1 reference

19 October 2017

114

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19 October 2017

8658-8664

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19 October 2017

33

1 reference

Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals

19 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Molecular complexes of simple anions with electron-deficient arenes: spectroscopic evidence for two types of structural motifs for anion-arene interactions.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

20 June 2018

Anion-pi interactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Anion binding involving pi-acidic heteroaromatic rings

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Anion-pi interactions in a carousel copper(II)-triazine complex

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Interactions with aromatic rings in chemical and biological recognition

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

The Cationminus signpi Interaction

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Cation-pi interactions in aromatics of biological and medicinal interest: electrostatic potential surfaces as a useful qualitative guide

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Cation-pi interactions in chemistry and biology: a new view of benzene, Phe, Tyr, and Trp

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Counterintuitive substituent effect of the ethynyl group in ion-pi interactions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Efficient density-functional theory integrations by locally augmented radial grids.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Anion-pi interactions in cyanuric acids: a combined crystallographic and computational study

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar-pi effects.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Interaction of anions with perfluoro aromatic compounds.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Anion-aromatic bonding: a case for anion recognition by pi-acidic rings

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3049731

Interplay Between Cation-π, Anion-π and π-π Interactions

26 November 2018

1 reference

12 December 2020

Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes

1 reference

12 December 2020

Anion-arene adducts: C-H hydrogen bonding, anion-pi interaction, and carbon bonding motifs

1 reference

12 December 2020

Aromatic molecules in anion recognition: electrostatics versus H-bonding

1 reference

12 December 2020

Arene-cation interactions of positive quadrupole moment aromatics and arene-anion interactions of negative quadrupole moment aromatics

1 reference

12 December 2020

Anion–π Interactions: Do They Exist?

1 reference

12 December 2020

A Topological Analysis of the Electron Density in Anion-π Interactions

1 reference

12 December 2020

Structure and Binding Energy of Anion−π and Cation−π Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods

1 reference

12 December 2020

Approximate Additivity of Anion−π Interactions: An Ab Initio Study on Anion−π, Anion−π2and Anion−π3Complexes

1 reference

12 December 2020

An Aromatic Anion Receptor: Anion-? Interactions do Exist

1 reference

12 December 2020

Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes

1 reference

12 December 2020

Avoiding singularity problems associated with meta-GGA (generalized gradient approximation) exchange and correlation functionals containing the kinetic energy density

1 reference

12 December 2020

Experimental evidence for interactions between anions and electron-deficient aromatic rings

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP1010549

1 reference

19 October 2017

1 reference

19 October 2017

1 reference

PMCID

3049731