Zeitschriftenartikel:
A. Turlik, K. Houk, D. Svatunek:
"Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines";
Journal of Organic Chemistry,
86
(2021),
18;
5 S.
Kurzfassung englisch:
Pyridyl tetrazines coordinated to metals like rhenium have been shown to be more reactive in [4 + 2] cycloadditions than their uncomplexed counterparts. Using density functional theory calculations, we found a more favorable interaction energy caused by stronger orbital interactions as the origin of this increased reactivity. Additionally, the high regioselectivity is due to a greater degree of charge stabilization in the transition state, leading to the major product.
Schlagworte:
Cycloaddition Reaction; Heterocyclic Compounds; Rhenium
"Offizielle" elektronische Version der Publikation (entsprechend ihrem Digital Object Identifier - DOI)
http://dx.doi.org/10.1021/acs.joc.1c01564
Elektronische Version der Publikation:
https://publik.tuwien.ac.at/files/publik_303199.pdf
Erstellt aus der Publikationsdatenbank der Technischen Universität Wien.