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. Ionization methods: ESI, APCI, MALDI Isotopic patterns
High resolution mass spectrometry.
Fragmentation in mass spectrometry
2. Monodimensional NMR experiments.
Heteronuclear NMR spectroscopy.
Selective irradiation experiments, 1D-NOE and 1D-TOCSY. Edited heteronuclear experiments: INEPT and DEPT. Aplications in stereochemistry problems
Other nuclei: N-15 and F-19 NMR
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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