Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Eveline H. Tiekink"'
Publikováno v:
Chemistry : a European Journal, 29, 7, pp. 1-8
Chemistry-A European Journal, 29(7):e202203121. Wiley-VCH Verlag
Yu, S, Tiekink, E H, Vermeeren, P, Bickelhaupt, F M & Hamlin, T A 2023, ' How Bases Catalyze Diels-Alder Reactions ', Chemistry-A European Journal, vol. 29, no. 7, e202203121 . https://doi.org/10.1002/chem.202203121
Chemistry : a European Journal, 29, 1-8
Chemistry-A European Journal, 29(7):e202203121. Wiley-VCH Verlag
Yu, S, Tiekink, E H, Vermeeren, P, Bickelhaupt, F M & Hamlin, T A 2023, ' How Bases Catalyze Diels-Alder Reactions ', Chemistry-A European Journal, vol. 29, no. 7, e202203121 . https://doi.org/10.1002/chem.202203121
Chemistry : a European Journal, 29, 1-8
We have quantum chemically studied the base-catalyzed Diels-Alder (DA) reaction between 3-hydroxy-2-pyrone and N-methylmaleimide using dispersion-corrected density functional theory. The uncatalyzed reaction is slow and is preceded by the extrusion o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95f4008aa35070469ee1397779dedd4e
https://hdl.handle.net/2066/290186
https://hdl.handle.net/2066/290186
Publikováno v:
Tiekink, E H, Vermeeren, P & Hamlin, T A 2023, ' The Origin of Catalysis and Regioselectivity of Lewis Acid-Catalyzed Diels-Alder Reactions with Tropone** ', Chemistry-A European Journal, vol. 29, no. 39, e202301223, pp. 1-7 . https://doi.org/10.1002/chem.202301223
We have studied the uncatalyzed and Lewis acid (LA)-catalyzed cycloaddition reaction between tropone and 1,1-dimethoxyethene using dispersion-corrected relativistic density functional theory (DFT). The LA catalysts BF3, B(C6H5)3, and B(C6F5)3 efficie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c72d893a3633a6eac57ca6207c126e88
https://doi.org/10.1002/chem.202301223
https://doi.org/10.1002/chem.202301223
Publikováno v:
European Journal of Organic Chemistry, 2021, 5275-5283
European Journal of Organic Chemistry, 2021(37), 5275-5283. Wiley-VCH Verlag
Tiekink, E H, Vermeeren, P, Bickelhaupt, F M & Hamlin, T A 2021, ' How Lewis Acids Catalyze Ene Reactions ', European Journal of Organic Chemistry, vol. 2021, no. 37, pp. 5275-5283 . https://doi.org/10.1002/ejoc.202101107
European Journal of Organic Chemistry, 2021, 37, pp. 5275-5283
European Journal of Organic Chemistry, 2021(37), 5275-5283. Wiley-VCH Verlag
Tiekink, E H, Vermeeren, P, Bickelhaupt, F M & Hamlin, T A 2021, ' How Lewis Acids Catalyze Ene Reactions ', European Journal of Organic Chemistry, vol. 2021, no. 37, pp. 5275-5283 . https://doi.org/10.1002/ejoc.202101107
European Journal of Organic Chemistry, 2021, 37, pp. 5275-5283
The catalytic effect of various Lewis acids (LAs) on the ene reaction between propene (ene) and but-3-en-2-one (enophile) was studied quantum chemically using density functional theory and with coupled-cluster theory. The studied LAs efficiently acce
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::97e4e6ac242937528934c01b8f31e848
https://hdl.handle.net/2066/241097
https://hdl.handle.net/2066/241097
Autor:
Małgorzata Bołt, Eveline H. Tiekink, Thomas Hansen, F. Matthias Bickelhaupt, Trevor A. Hamlin
Publikováno v:
European Journal of Organic Chemistry, 2022, 1-7
European Journal of Organic Chemistry, 2022(46):e202201144, 1-7. Wiley-VCH Verlag
Bołt, M, Tiekink, E H, Hansen, T, Bickelhaupt, F M & Hamlin, T A 2022, ' C(sp n )−X (n=1–3) Bond Activation by Iron ', European Journal of Organic Chemistry, vol. 2022, no. 46, e202201144, pp. 1-7 . https://doi.org/10.1002/ejoc.202201144
European Journal of Organic Chemistry, 2022, 46, pp. 1-7
European Journal of Organic Chemistry, 2022(46):e202201144, 1-7. Wiley-VCH Verlag
Bołt, M, Tiekink, E H, Hansen, T, Bickelhaupt, F M & Hamlin, T A 2022, ' C(sp n )−X (n=1–3) Bond Activation by Iron ', European Journal of Organic Chemistry, vol. 2022, no. 46, e202201144, pp. 1-7 . https://doi.org/10.1002/ejoc.202201144
European Journal of Organic Chemistry, 2022, 46, pp. 1-7
The iron-catalyzed oxidative addition of C(spn)−X bonds (n=1–3 and X=H, CH3, Cl) in archetypal model substrates H3C−CH2−X, H2C=CH−X and HC≡C−X to Fe(CO)4 was investigated using relativistic density functional theory at ZORA-OPBE/TZ2P. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6cc2fbe61804f46b0e83c4759ea2f42
http://hdl.handle.net/2066/285842
http://hdl.handle.net/2066/285842
Autor:
Susanne A. Gooijer, Wybren Jan Buma, Mark A. J. Koenis, Nadav U. Joosten, Eveline H. Tiekink, Valentin P. Nicu, Lucas Visscher, Davita M.E. van Raamsdonk
Publikováno v:
Analytica Chimica Acta, 1090, 100-105. Elsevier
Koenis, M A J, Tiekink, E H, van Raamsdonk, D M E, Joosten, N U, Gooijer, S A, Nicu, V P, Visscher, L & Buma, W J 2019, ' Analytical chemistry on many-center chiral compounds based on vibrational circular dichroism : Absolute configuration assignments and determination of contaminant levels ', Analytica Chimica Acta, vol. 1090, pp. 100-105 . https://doi.org/10.1016/j.aca.2019.09.021
Analytica Chimica Acta, 1090, 100-105
Analytica Chimica Acta, 1090, pp. 100-105
Koenis, M A J, Tiekink, E H, van Raamsdonk, D M E, Joosten, N U, Gooijer, S A, Nicu, V P, Visscher, L & Buma, W J 2019, ' Analytical chemistry on many-center chiral compounds based on vibrational circular dichroism : Absolute configuration assignments and determination of contaminant levels ', Analytica Chimica Acta, vol. 1090, pp. 100-105 . https://doi.org/10.1016/j.aca.2019.09.021
Analytica Chimica Acta, 1090, 100-105
Analytica Chimica Acta, 1090, pp. 100-105
The absolute configuration of a chiral molecule is key to its biological activity. Being able to find out what this configuration is, is thus crucial for a wide range of applications. The difficulties associated with such a determination steeply rise
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46944e984294e771e0b86c2b93687771
https://dare.uva.nl/personal/pure/en/publications/analytical-chemistry-on-manycenter-chiral-compounds-based-on-vibrational-circular-dichroism-absolute-configuration-assignments-and-determination-of-contaminant-levels(b1aead8f-8ba9-473f-9cce-2336b226d1e1).html
https://dare.uva.nl/personal/pure/en/publications/analytical-chemistry-on-manycenter-chiral-compounds-based-on-vibrational-circular-dichroism-absolute-configuration-assignments-and-determination-of-contaminant-levels(b1aead8f-8ba9-473f-9cce-2336b226d1e1).html