KE804: Spectroscopy and structural chemistry (10 ECTS)

STADS: 10002901

Level
Master's level course

Teaching period
The course is offered in the autumn semester.
1st and 2nd quarter.

Teacher responsible
Email: pwj@ifk.sdu.dk

Additional teachers
ugn@ifk.sdu.dk
adb@ifk.sdu.dk

Timetable
Show entire timetable
Show personal time table for this course.

Revison of timetable:
: Forelæsning d. 5 sep. flyttet pga. koncert.

Prerequisites:
None

Academic preconditions:
Bachelor degree in Chemistry, Pharmaceutical Chemistry, Pharmaceutical Science or Nanobioscience.

Course introduction
Aim of the course is to teach the students the theoretical background and applications of structural characterization techniques used in chemistry.

Expected learning outcome
At the end of the course the student is expected to be able to:
• Explain the physical chemical background of, and results obtained by, the different structural characterization techniques.
• Evaluate the relevance of the characterisation techniques and apply these techniques to solve structural chemical problems for molecules of all sizes.

Subject overview
• Optical spectroscopy
o Experimental methods and theoretical background for rotational, vibrational and electronic spectroscopy
o Rotational-, vibrational- and electron spectroscopy applied to the study of molecular structure and dynamics

• NMR spectroscopy
o weak and strong coupling
o Relaxation and NOE
o Pulse sequences and the vector model
o Principles of 2D NMR and its applications

• Mass-spectrometry
o Ionisation techniques: EI/CI, MALDI, ESI
o Mass analysators: quadrupoles, iontraps, sector instruments and time-of-flight instruments
o Tandem mass spectrometry and fragmentation methods
o Structure elucidation of biomolecules
o fragmentation mechanisms

• X-Ray diffraction
o Description of molecular crystals (lattices, unit cells and symmetry)
o The relationship between a molecular crystal and its X-ray diffraction pattern
o X-ray crystal structure analysis in practice
o The significance of crystallographic results and their relation to results from other characterisation techniques

• Project

Literature

• Hore, Jones & Wimperis : The Tool Kit, (Oxford Primer serien) .
• Noter.
• Peter Atkins og Julio de Paula: Physical Chemistry , 8. udgave, Oxford University Press 2006.
• E. De Hoffmann, V. Stroobant : Mass Spectrometry - principles and applications, 3rd Ed., Wiley 2007 .

Syllabus
See syllabus.

Website
This course uses e-learn (blackboard).

Prerequisites for participating in the exam
None

Assessment and marking:
(a) Project report. Passed/not passed, internal marking by lecturer.
Approval of the project is a prerequisit for participating in the written exam.
(b) A 4 hours written exam. Danish 7 point marking scale, external marking.

Reexamination after 4th quarter.

Expected working hours
The teaching method is based on three phase model.

Forelæsninger, antal timer 40.
Eksaminatorietimer/opgaveregning, antal timer 20.
Laboratorieøvelser, antal timer 20.
Projekt, antal timer 50.
Educational activities

Language
This course is taught in English, if international students participate. Otherwise the course is taught in Danish.

Course enrollment
See deadline of enrolment.

Tuition fees for single courses
See fees for single courses.