Diels-Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux

Quantum chemical calculations were used to study the mechanism of Diels-Alder reactions involving chiral anthracenes as dienes and a series of dienophiles. The reaction force analysis was employed to obtain a detailed scrutiny of the reaction mechanisms, it has been found that thermodynamics and kin...

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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:11407/5939

Acceso en línea:

http://hdl.handle.net/11407/5939

Palabra clave:

chiral anthracene
diels Alders reaction mechanisms
reaction electronic flux (REF)
reaction force analysis
Activation analysis
Activation energy
Anthracene
Chemical bonds
Quantum chemistry
Stereochemistry
Thermodynamics
Diels-Alder reaction
Natural bond orders
Population analysis
Quantum chemical calculations
Reaction electronic flux (REF)
Reaction electronic fluxes
Structural rearrangement
Thermodynamics and kinetics
Reaction kinetics

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http://purl.org/coar/access_right/c_16ec