1,3-Dipolar Cycloadditions of Nitrile Oxide to Homoallylic Alcohols
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1,3-Dipolar Cycloadditions of Nitrile Oxide to Homoallylic AlcoholsTutor/Supervisor; Universidad.Departamento
Oliva Domínguez, Mónica; Sancho Llopis, Juan Vicente; Universitat Jaume I. Departament de Química Física i AnalíticaFecha de publicación
2020-09-24Editor
Universitat Jaume IResumen
In chemistry planning an experiment or analysing its results usually involves
calculations which, sometimes, cannot be worked out by hand and it is necessary
to use a computer. Those are the cases when an experiment ... [+]
In chemistry planning an experiment or analysing its results usually involves
calculations which, sometimes, cannot be worked out by hand and it is necessary
to use a computer. Those are the cases when an experiment has a high number
of variables, contains a long number of calculus and/or are difficult to carry out.
There are different types of computational methods, the most common ones
involve modelling the behaviour of chemical systems, which interact in
complicated ways. These methods are based on fundamental physical theories
of quantum chemistry and classic mechanics, and expressed in terms of
mathematical equations.
Being said that molecular systems follow the law of quantum mechanics, it is no
strange that mostly all of computational chemistry relies on it.
1,3-dipolar cycloadditions are chemical reactions, between 1,3-dipoles and
dipolarophiles, that form five-member heterocycles (Figure 1). These reactions
are broadly used in organic synthesis, and also known as Huisgen cycloadditions,
especially when the reactants are azides and alkynes.
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Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020
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