The origin of the high reactivity of triazolinediones (TADs) in Diels-Alder reactions from a theoretical perspective

We investigate on the origin of the high reactivity of triazolinediones compared to maleimides in Diels-Alder reactions by using a combination of Molecular Orbital Theory and the Activation Strain Model of reactivity. Calculations at M06-2X/6–311++G(d,p)//M06-2X/6-31+G(d) level show that the energy...

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Autores:

Tipo de recurso:

Fecha de publicación:

2020

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/6034

Acceso en línea:

http://hdl.handle.net/11407/6034

Palabra clave:

Activation strain model
Charge transfer
Diels Alder
Maleimides
Strain energies
Triazolinediones

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