Chalcogen Atom Size: A Key Parameter in Modulating Carbonyl Compound Properties

Celine Nieuwland, Célia Fonseca Guerra*

*Corresponding author for this work

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

Exchanging oxygen in the functional group C=O (i. e., carbonyl) for the less electronegative Group 16 elements, sulfur or selenium, unexpectedly enhances the electronegativity of the C=X group in π-conjugated molecules and reduces the molecular π HOMO–LUMO energy gap. Quantum-chemical analyses revealed that the steric size of the chalcogen atom X is at the origin of this seemingly counterintuitive behavior. This tuning of the chemical properties of carbonyl compounds by varying the chalcogen atom size in the C=X bond can be applied in many fields of chemistry. This concept article delineates several useful applications in the fields of organocatalysis, supramolecular chemistry, and photo(electro)chemistry.

Original languageEnglish
Article numbere202304361
Pages (from-to)1-6
Number of pages6
JournalChemistry - A European Journal
Volume30
Issue number24
Early online date29 Jan 2024
DOIs
Publication statusPublished - 25 Apr 2024

Bibliographical note

Publisher Copyright:
© 2024 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.

Funding

The authors thank the Dutch Research Council (NWO) for financial support. The ball-and-stick structures in this article were created using the CYLview20[19] visualization software.

FundersFunder number
Nederlandse Organisatie voor Wetenschappelijk Onderzoek

    Keywords

    • Carbonyl chemistry
    • Chalcogens
    • Organocatalysis
    • Photochemistry
    • Supramolecular chemistry

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