Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary amines
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Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary aminesAutoria
Tutor/Supervisor; Universitat.Departament
Castillo Solsona, Raquel; Universitat Jaume I. Departament de Química Física i AnalíticaData de publicació
2019-07Editor
Universitat Jaume IResum
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. [-]
Paraules clau / Matèries
Descripció
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2018/2019
Tipus de document
info:eu-repo/semantics/bachelorThesisDrets d'accés
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info:eu-repo/semantics/restrictedAccess
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Apareix a les col.leccions
- Grau en Química [265]