Application of the molecular electron density theory to describe the reactivity of nitrile N-oxides and selectivity of their reactions with selected pi-deficient unsaturated components
Authors:
- Karolina Zawadzińska,
- Karolina Kula
Abstract
Molecular Electron Density Theory (MEDT) is a new, powerful tool that could be used to predict the reactivity and mechanism of many organic reactions. In following paper the MEDT was used to describe the nature of addents in [3+2] cycloaddition which provides five membered heterocycled compounds – isoxazoles and their analogs. The most popular group of dipoles in [3+2] cycloaddition – nitrile N-oxide was characterised. Reactivity and behaviour of nitrile N-oxides in the reactions with selected -deficite components was studied. Following paper provides an overview of the available literature.
- Record ID
- CUTadc24a6fcbc145cab4e590071b01a591
- Publication categories
- ; ;
- Author
- Pages
- 57-62
- Other elements of collation
- rys.; Bibliografia (na s.) - 61-62; Bibliografia (liczba pozycji) - 27; Oznaczenie streszczenia - Abstr.
- Book
- Kępczak Norbert, Norbert Kępczak Solarczyk Paweł Paweł Solarczyk (eds.): National Scientific Conference “Understand the Science” V edition, September 25, 2021, National Scientific Conference “e-Factory of Science” VI edition, November 20, 2021 : The Book of Articles, 2021, Łódź, Promovendi Foundation Publishing, ISBN 978-83-961157-8-2
- Keywords in English
- nitrile N-oxides, MEDT, DFT, chemical reactivity, computational chemistry
- URL
- https://promovendi.pl/open-access/ Opening in a new tab
- Language
- eng (en) English
- License
- Score (nominal)
- 5
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUTadc24a6fcbc145cab4e590071b01a591/
- URN
urn:pkr-prod:CUTadc24a6fcbc145cab4e590071b01a591
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