Browsing Research publications by Author "Tzeli, Demeter"
Now showing items 1-3 of 3
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Arene-fused 1,2-oxazole N-oxides and derivatives. The impact of the N-O dipole and substitution on their aromatic character and reactivity profile. Can it be a useful structure in synthesis? A theoretical insight
Kozielewicz, Paweł; Tzeli, Demeter; Tsoungas, Petros G.; Zloh, Mire (2014-12-01)DFT calculations have shown that the N-O dipole of benzene- and naphthalene-fused 1,2-oxazole N-oxides causes a distortion of their σ and π frame, concentrated on the 1,2-oxazole ring, such that it increases its susceptibility ... -
Intramolecular cyclization of β-nitroso-o-quinone methides : A theoretical endoscopy of a potentially useful innate 'reclusive' reaction
Tzeli, Demeter; Tsoungas, Petros G.; Petsalakis, Ioannis D.; Kozielewicz, Paweł; Zloh, Mire (2015-01-14)Oxidatively generated β-nitroso-o-quinone methides undergo an o- and/or peri-intramolecular cyclization to arene-fused 1,2-oxazoles, 1,2-oxazines or indoles. The reaction, found to be an innate process, has been scrutinized ... -
β-Nitroso-o-Quinone Methides: Potent Intermediates in Organic Chemistry and Biology : The impact of the NO group on their Structure and Reactivity Profile: a Theoretical Insight
Kozielewicz, Pawel; Tsoungas, Petros; Zloh, Mire; Tzeli, Demeter; Petsalakis, Ioannis (2014-12)The structure and reactivity profile of prototype o-quinone methides 1, 2 and their ß-nitroso analogues 6-9 have been investigated by means of DFT and MP2 calculations. These highly reactive unstable species are generated ...