Evidence map›Paper›PMID 39222401›Full record

ArticleChemphyschem : a European journal of chemical physics and physical chemistry2024

Illuminating the Performance of Electron Withdrawing Groups in Halogen Bonding.

Daniel P Devore, Thomas L Ellington, Kevin L Shuford

Abstract read
In one paragraph

Article in Chemphyschem : a European journal of chemical physics and physical chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Upgrade of Weak σ-Hole Bond Donors via Cr(CO)Chemistry (Weinheim an der Bergstrasse, Germany) · 2025
    Article
  2. Illuminating the Performance of Electron Withdrawing Groups in Halogen Bonding.Chemphyschem : a European journal of chemical physics and physical chemistry · 2024
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Daniel P DevoreDepartment of Chemistry and Biochemistry, Baylor University, One Bear Place 97348, Waco, TX, 76798-7348, USA.ORCID https://orcid.org/0000-0002-5753-4260
Thomas L EllingtonDepartment of Chemistry and Biochemistry, Baylor University, One Bear Place 97348, Waco, TX, 76798-7348, USA.
Kevin L ShufordDepartment of Chemistry and Biochemistry, Baylor University, One Bear Place 97348, Waco, TX, 76798-7348, USA.ORCID https://orcid.org/0000-0002-8452-2302

Funding

National Science Foundation 2147956
6 · The paper itself

Abstract

Throughout the halogen bonding literature, electron withdrawing groups are relied upon heavily for tuning the interaction strength between the halogen bond donor and acceptor; however, the interplay of electronic effects associated with various substituents is less of a focus. This work utilizes computational techniques to study the degree of σ- and π-electron donating/accepting character of electron withdrawing groups in a prescribed set of halo-alkyne, halo-benzene, and halo-ethynyl benzene halogen bond donors. We examine how these factors affect the σ-hole magnitude of the donors as well as the binding strength of the corresponding complexes with an ammonia acceptor. Statistical analyses aid the interpretation of how these substituents influence the properties of the halogen bond donors and complexes, and show that the electron withdrawing groups that are both σ- and π-electron accepting form the strongest halogen bond complexes.

Indexed as

density functional calculationselectron with- drawing groupshalogen bondinghydrogen bondingLewis acidsσ-hole interactions

Identifiers

PMID39222401
PMCPMC11648845

What OpenQuestion holds

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.