Accès ouvert
2026
article
OpenAlex
Soumabrata Majumdar, Diederik van Luijk, Martijn M. van Galen, Pascal Vermeeren et autres
Catch bonds-dynamic molecular interactions whose lifetimes increase under mechanical load-are central to biological mechanotransduction but remain challenging to replicate synthetically. Here, we report a covalent catch-bonding mechanism in a low-molecular-weight motif based on hydroxyethyl phosphate (HEP) triesters. Our design uses force-mediated inhibition …
nl, Afrique du Sud, gb
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Accès ouvert
2026
article
OpenAlex
Steven E. Beutick, Maarten J. H. van Dorp, Trevor A. Hamlin, J. Martijn van der Schuur et autres
We have quantum chemically analyzed how substituents R affect the carboncarbon bond strength in 1,2‐disubstituted ethane, RH 2 CCH 2 R (R = H, CH 3 , NH 2 , OH, F), using density functional theory. Our quantitative MO bonding analyses reveal …
nl, Afrique du Sud
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Accès ouvert
2026
preprint
OpenAlex
Michael T. Findlay, Florian Lukas, Ken Yamazaki, Guillaume Hopsort et autres
Understanding how catalytic systems dictate product selectivity is crucial for advancing sustainable cross-coupling chemistry. While nickel-photoredox dual catalysis has unlocked CC and CO bond formation from carboxylic acids and aryl halides, the mechanistic origins of this divergence have remained elusive. Here, we …
nl, jp, us, ch
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Accès ouvert
2025
article
OpenAlex
Yuman Hordijk, Tula M. M. Kaptein, Eva Blokker, Christopher B. Kelly et autres
Radical addition reactions have become an indispensable tool for constructing carbon–carbon bonds in organic chemistry. Given the significance of these processes, it is imperative that the underlying rules governing odd electron C–C bond forming processes be better understood. This study explores the …
nl, us, ca, il
(code pays fourni par la source)
Accès ouvert
2025
preprint
OpenAlex
Eveline H. Tiekink, Yuman Hordijk, Trevor A. Hamlin
The binding affinities for a series of Lewis acids (LAs) to acrolein and azabutadiene were investigated using density functional theory calculations at ZORA-BLYP-D3(BJ)/TZ2P. In all systems, LAs favor σ-binding to the lone pair of nitrogen or oxygen, rather than π-binding to the …
nl
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Accès ouvert
2025
article
OpenAlex
Eveline H. Tiekink, Matthijs W. Kragtwijk, Trevor A. Hamlin
Blurring the boundaries between main-group and transition metal chemistry, Group 14 metallylenes offer a tunable, earth-abundant platform for catalysis. Once the domain of d-block elements, transition metal-like reactivity is now within reach—unlocking new avenues for sustainable small-molecule activation and follow-up reactions through …
nl
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Accès ouvert
2025
preprint
OpenAlex
Yuman Hordijk, Tula M. M. Kaptein, Eva Blokker, Christopher B. Kelly et autres
Radical addition reactions have become an indispensable tool for constructing carbon-carbon bonds in organic chemistry. Given the significance of these processes, it is imperative that the underlying rules governing odd electron C-C bond forming processes are better understood. This study explores the …
nl, il
(code pays fourni par la source)
Accès ouvert
2025
article
OpenAlex
Jonathan C. Golec, Dong‐Hang Tan, Ken Yamazaki, Eveline H. Tiekink et autres
Abstract The enantioselective construction of small-ring carbocycles provides organic chemists with an enduring challenge1. Despite their commercial importance, enantioselective synthetic routes towards alkylidenecyclopropanes, a class of small-ring carbocycles, remain underdeveloped2,3. Alkylidenecyclopropanes can be converted into cyclopropanes, a common feature in drug molecules …
gb, us, jp, nl
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Accès ouvert
2025
article
OpenAlex
Yuman Hordijk, Bart Waaijer, Christopher B. Kelly, Trevor A. Hamlin
High Resolution Image Download MS PowerPoint Slide Radical additions to olefins and related π-systems are essential tools in the modern synthetic toolbox for forging C–C and C–X bonds. We report a systematic DFT study (ZORA-(U)OLYP/TZ2P) on methyl radical (H 3 C • …
nl, us, ca, il
(code pays fourni par la source)
Accès ouvert
2025
article
OpenAlex
Eveline H. Tiekink, Matthijs W. Kragtwijk, Trevor A. Hamlin
The activation of small molecules is a crucial step in advancing sustainable chemistry, enabling key transformations in fine chemical synthesis and energy storage. While transition metals have traditionally dominated this field, main‐group elements—specifically metallylenes, which are heavier analogs of carbenes (silylenes, germylenes, …
nl
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Accès ouvert
2025
article
OpenAlex
Pascal Vermeeren, Thomas Hansen, Trevor A. Hamlin, F. Matthias Bickelhaupt
Abstract Bimolecular nucleophilic substitution (SN2) and base‐induced elimination (E2) generally compete, and it is, therefore, essential to be in control of this competition in synthetic organic chemistry. Herein, we establish guiding principles based on quantitative molecular orbital (MO) theory and the activation …
nl, Afrique du Sud
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Accès ouvert
2025
article
OpenAlex
Steven E. Beutick, Francesco Lambertini, Trevor A. Hamlin, F. Matthias Bickelhaupt et autres
ABSTRACT We conducted a double‐hierarchical ab initio benchmark and DFT performance study of the organodichalcogenide bonding motif CH3Ch1Ch2(O)nCH3 with Ch1, Ch2 = S, Se and n = 0, 1, 2. The organodichalcogenide model systems were optimized at ZORA‐CCSD(T)/ma‐ZORA‐def2‐TZVPP. Our ab initio benchmark …
it, nl, Afrique du Sud
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