Evidence map›Paper›PMID 31957943›Full record

ArticleChemistry (Weinheim an der Bergstrasse, Germany)2020

Ambident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses.

Tom Bettens, Mercedes Alonso, Frank De Proft, Trevor A Hamlin, F Matthias Bickelhaupt

Abstract read
In one paragraph

Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Chemical reactivity from an activation strain perspective.Chemical communications (Cambridge, England) · 2021
    Review
  5. Article
  6. Article
  7. 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

5 authors.

Tom BettensEenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel, Pleinlaan 2, 1050, Brussels, Belgium.ORCID http://orcid.org/0000-0003-2883-1992
Mercedes AlonsoEenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel, Pleinlaan 2, 1050, Brussels, Belgium.ORCID http://orcid.org/0000-0002-7076-2305
Frank De ProftEenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel, Pleinlaan 2, 1050, Brussels, Belgium.ORCID http://orcid.org/0000-0003-4900-7513
Trevor A HamlinDepartment of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081, HV, Amsterdam, The Netherlands.ORCID http://orcid.org/0000-0002-5128-1004
F Matthias BickelhauptDepartment of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081, HV, Amsterdam, The Netherlands.ORCID http://orcid.org/0000-0003-4655-7747

Funding

Francqui FoundationResearch Foundation Flanders FWO-12F4416NThe Netherlands Organization for Scientific Research
6 · The paper itself

Abstract

The ability to understand and predict ambident reactivity is key to the rational design of organic syntheses. An approach to understand trends in ambident reactivity is the hard and soft acids and bases (HSAB) principle. The recent controversy over the general validity of this principle prompted us to investigate the competing gas-phase S

Indexed as

activation strain modelambident reactivityconceptual density functional theorydensity functional calculationsnucleophilic substitution reactions

Identifiers

PMID31957943
PMCPMC7154642

What OpenQuestion holds

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LicenceCC BY-NC
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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.