Teaching GuideTerm
Faculty of Science
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Mestrado Universitario en Investigación Química e Química Industrial (Plan 2017)
 Subjects
  Advanced Structural Determination
   Contents
Topic Sub-topic
1. The mass spectrometry Basic principles. Isotopic patterns
High resolution mass spectrometry.
2. Monodimensional NMR experiments.
Heteronuclear NMR spectroscopy.
1D-NMR: vectorial model in pulse experiments
NMR spectral parameters: signal integration and chemical shifts.
Doble irradiation experiments
1D-NMR pulse sequences.
3. Bidimensional NMR experiments. Heteronuclear correlation experiments. HSQC and HMBC
2D-NMR experiments: COSY basic principles; TOCSY
NOE experiments. NOESY and ROESY
Heteronuclear 2D-experiments
4.- Monocrystal X-Ray difraction Basic concepts.
Resolution methods and refinament of the structural models: examples.
Criterios de calidad del modelo.
Compuational tools for calculation and representation for structures.
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