Tom Bettens
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Explore the profile of Tom Bettens including associated specialties, affiliations and a list of published articles.
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9
Citations
38
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Recent Articles
1.
Alonso M, Bettens T, Eeckhoudt J, Geerlings P, De Proft F
Phys Chem Chem Phys
. 2023 Dec;
26(1):21-35.
PMID: 38086672
Mechanochemistry has experienced a renaissance in recent years witnessing, at the molecular level, a remarkable interplay between theory and experiment. Molecular mechanochemistry has welcomed a broad spectrum of quantum-chemical methods...
2.
Bettens T, Alonso M, Geerlings P, De Proft F
J Org Chem
. 2023 Feb;
88(4):2046-2056.
PMID: 36735279
Anti-Felkin-Anh diastereoselectivity can be achieved for nucleophilic additions to α-chiral ketones upon stretching the ketone with a mechanical pulling force. Herein, a mechanochemical Felkin-Anh model is proposed for predicting the...
3.
Van Lommel R, Bettens T, Barlow T, Bertouille J, Ballet S, De Proft F
Pharmaceuticals (Basel)
. 2022 Aug;
15(8).
PMID: 36015083
Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring...
4.
Bettens T, Alonso M, Geerlings P, De Proft F
Chem Sci
. 2021 Jun;
11(5):1431-1439.
PMID: 34123268
In our effort to implement the mechanical force used to activate single molecules in mechanochemistry in the context of conceptual density functional theory, we present a theoretical investigation of strained...
5.
Bettens T, Eeckhoudt J, Hoffmann M, Alonso M, Geerlings P, Dreuw A, et al.
J Org Chem
. 2021 May;
86(11):7477-7489.
PMID: 33988028
The conjugated π-system in polyenes can be interrupted by electrocyclic ring-closure reactions. In this work, this 6π-electrocylization is shown by means of density functional calculations to be reversible by the...
6.
Bettens T, Hoffmann M, Alonso M, Geerlings P, Dreuw A, De Proft F
Chemistry
. 2020 Nov;
27(10):3397-3406.
PMID: 33170967
A hitherto unexplored class of molecules for molecular force probe applications are expanded porphyrins. This work proves that mechanical force is an effective stimulus to trigger the interconversion between Hückel...
7.
Bettens T, Pan S, De Proft F, Frenking G, Geerlings P
Chemistry
. 2020 Jun;
26(56):12785-12793.
PMID: 32515082
Following the recent discovery of stable octa-coordinated alkaline earth metals with N and CO, the role of group II metals in the catalytic reduction of these ligands by means of...
8.
Bettens T, Alonso M, De Proft F, Hamlin T, Bickelhaupt F
Chemistry
. 2020 Jan;
26(17):3884-3893.
PMID: 31957943
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...
9.
Bettens T, Alonso M, Geerlings P, De Proft F
Phys Chem Chem Phys
. 2019 Mar;
21(14):7378-7388.
PMID: 30901012
In molecular mechanochemistry, the chemical properties of a reactant system are modified through the absorption of mechanical energy at the single molecular level, as opposed to thermochemistry (heat), electrochemistry (electrical...