Spectroscopy
Faculteit  Science and Engineering 
Jaar  2021/22 
Vakcode  WBCH04405 
Vaknaam  Spectroscopy 
Niveau(s)  propedeuse 
Voertaal  Engels 
Periode  semester II b 
ECTS  5 
Rooster  rooster.rug.nl 
Uitgebreide vaknaam  Spectroscopy  
Leerdoelen  At the end of the course, the student is able to: 1. understand why quantum mechanics replaced classical mechanics for the description of small particles in small spaces and write down the Schroedinger equation (SE) for simple systems and test whether certain functions are indeed the wavefunctions that solve the SE, and verify orthogonality calculate the expectation values of operators from the relevant wavefunction. 2. understand that photons can stimulate transitions between the various states such systems can be in, leading to microwave, infrared, Raman, UVVis absorption and NMR spectroscopies. They understand how the transition dipole moment can be calculated and how it leads to selection rules. They are able to predict at which frequencies (energies, wavenumbers, wavelengths) photons can be absorbed 3. calculate the relative occupancies of the various states of a system at thermal equilibrium (Boltzmann's distribution law). They understand how Boltzmann's law dictates the various intensities of absorption lines in spectra. They know a number of ways in which a sample will return to thermal equilibrium (relaxation) after photons have been absorbed, heating, spontaneous emission 4. know how to use magnetic resonance spectroscopy and vibrational spectroscopy to obtain highly informative signals from the various nuclei in a wide range of molecules. They know how to derive detailed knowledge about the chemical and spatial structure and about the dynamics of molecules from their 1dimensional NMR and vibrational spectra. 5. know how to use software including spreadsheets and spectral analysis encountered in this course and use open source and commercial software for predict spectral properties and interpret and analysis spectroscopic data. 

Omschrijving  Introduction to quantum mechanics. Doubleslit experiment. Wavefunctions, operators, expectation values. Application of quantum mechanical theory to rotating and vibrating molecules, to electrons in atoms and simple molecules. Interaction of molecules with photons from almost the entire electromagnetic spectrum (radiowaves, microwaves, IR, UVVis, Xrays), transition dipole moments, selection rules. Absorption, spontaneous and stimulated emission, saturation, Boltzmann's distribution law. NMR spectroscopy: nuclear spins in a magnetic field, gyromagnetic ratios of various nuclei, and how it dictates sensitivity; precession and chemical shift; homo and heteronuclear Jcouplings. Use of NMR in combination with other techniques to predict and determine the structures of organic compounds, chemical exchange to identify molecular structure and dynamics. Prediction and interpretation of FTIR, Raman and NMR spectral data are key goals of the course 

Uren per week  
Onderwijsvorm 
Hoorcollege (LC), Practisch werk (PRC), Werkcollege (T)
(Total hours of lectures: 33 hours, Tutorials: 30 hours, computer practicals: 16 hours, Self study: 80 hours.) 

Toetsvorm 
Schriftelijk tentamen (WE), Tussentoets (IT)
(The final grade is calculated based on the final written exam. The final mark is obtained by rounding to half integer vales except for 5.5 which is not awarded. If the grade for the midterm exam is 1 or more points (on a 1 to 10 scale) higher than the final exam and the grade for the final exam is > 5.5 then the final grade will be increased by 1 point.) 

Vaksoort  propedeuse  
Coördinator  prof. dr. W.R. Browne  
Docent(en)  prof. dr. W.R. Browne ,PhD. T.R. Canrinus ,prof. dr. M. Tromp  
Verplichte literatuur 


Entreevoorwaarden  The course unit assumes prior knowledge acquired from Calculus 1, BSc Chemistry, Period Ia, Highschool physics, and Organic Chemistry 1 and Synthesis Practical Period 1b. The course unit is compulsory for the Chemistry and Chemical Technology programs. 

Opmerkingen  Written exam with open questions. The exam assess the ability of the students to apply the concepts of quantum mechanics and spectroscopy to theoretical and numerical problems. If mid term grade is > 1 greater than final grade (which is itself greater than 5.5) then the final grade is increased by 1 The course unit provides background knowledge for the analytical aspects of the unit Chemical Synthesis 1 (BSc Chemistry, year 1, period Ib). The course unit prepares students for Quantum Chemistry, BSc Chemistry, year 2, period Ib, Organic Chemistry 2 and Synthesis labs Year 2 block 1a This course was registered last year with course code CHAC10 

Opgenomen in 
