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Teaching GuideTerm Faculty of Science |
| Mestrado Universitario en Investigación Química e Química Industrial (Plan 2020) |
 Subjects |
| Advanced Structural Determination |
| Learning aims |
| Identifying Data | 2020/21 | |||||||||||||
| Subject | Advanced Structural Determination | Code | 610509103 | |||||||||||
| Study programme |
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| Descriptors | Cycle | Period | Year | Type | Credits | |||||||||
| Official Master's Degree | 1st four-month period |
First | Obligatory | 3 | ||||||||||
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| Learning outcomes | Study programme competences | ||
| Be able to propose a molecular structure of both organic and inorganic Compostos by using spectroscopic techniques or mass spectrometry techniques. | AC1 AC2 AC3 AC7 AC8 AC9 |
BC1 BC2 BC4 BC5 BC10 BC11 |
CC1 CC2 CC3 CC4 |
| Be able to identify in a mass spectrum the base peak, molecular ion (main peak and isotope peaks) and some peak fragmentations. Be able to identify acronyms in the different ionization techniques. Be able to manually determine isotopic compositions of molecules using isotopomers and isotopologues. Be able to identify common elements such S, Cl, Br based on isotopic patterns. Be able to estimate the maximum number of carbons based on the M+1 peak Be able to get possible molecular formulaes for a given mass using de rule of 13. Be able to use the nitrogen rule in the number of possible formulas. Be able to determine the degree of unsaturation from an empirical formula (DBE) Be able to interpret NMR magnetization through pulse sequences. Be able to interpret basic concepts as relaxation processes in NMR. Be able to describe or outline basic experiment by NMR pulses and NMR acquisition parameters (SI, O1, SW, AQ, DW, FIDRES, P1, D1 ...). Be able to interpret type of NMR data such absorption and dispersion. Be able to distinguish NMR in time scale (FID) and NMR frequency scale (NMR spectrum) and to describe the Fourier Transformation in NMR. Be able to describe the basic work-up of two-dimensional NMR experiments. Be able to identify molecular fragments by using an heteronuclear experiments (HSQC / HMQC). Use of the DEPT-135 Edited HSQC experiment. Be able to gather information from NOE experiments. Use of essential difractometric techniques for a X-RAy single crystal experiments in the structural determination of small molecules. | AC8 |
BC1 BC2 BC4 BC7 |
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