Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary amines
Ver/ Abrir
Metadatos
Mostrar el registro completo del ítemcomunitat-uji-handle:10234/158176
comunitat-uji-handle2:10234/71324
comunitat-uji-handle3:10234/98504
comunitat-uji-handle4:
TFG-TFMEste recurso está restringido
Metadatos
Título
Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary aminesAutoría
Tutor/Supervisor; Universidad.Departamento
Castillo Solsona, Raquel; Universitat Jaume I. Departament de Química Física i AnalíticaFecha de publicación
2019-07Editor
Universitat Jaume IResumen
The objectives are the following:
- Study the influence of the substituents in an aromatic nucleophilic substitution.
- Study of the precision of the method used.
- Obtain the rate constants and comparison with the ... [+]
The objectives are the following:
- Study the influence of the substituents in an aromatic nucleophilic substitution.
- Study of the precision of the method used.
- Obtain the rate constants and comparison with the experimental constants.
For this we use the following quantum methods: AM1, Hartree-Fock and B3LYP
methods in vacuum and AM1 and Hartree-Fock in acetonitrile with PCM using the
basis set 3-21G. [-]
Palabras clave / Materias
Descripción
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2018/2019
Tipo de documento
info:eu-repo/semantics/bachelorThesisDerechos de acceso
http://rightsstatements.org/vocab/CNE/1.0/
info:eu-repo/semantics/restrictedAccess
info:eu-repo/semantics/restrictedAccess
Aparece en las colecciones
- Grau en Química [265]