KD1070 Molecular Structure 6.0 credits

• Elementary quantum mechanics
• Electronic structure of atoms, atomic orbitals, the basis for the periodic system
• Chemical bonding, molecular orbitals, hybridization, singlet and triplet states, applications of chemical bonding in organic, inorganic, and biological molecules
• Background to modern quantum chemical methods
• Intermolecular interactions, gases-liquids-liquid crystals-solids, supermolecular structures, e.g. biomembranes
• Spectroscopical methods such as IR, Raman, UV/VIS, NMR, MS, ESCA
• Diffraction methods
• Structural chemistry

Most of the experimental methods and the computational quantum chemistry are exemplified by laboratory and/or computer exercises.

1. to formulate, model, and solve problems in selected simple quantum mechanical systems, to describe and analyze atomic and molecular features on a quantum mechanical ground and to identify and exemplify those different factors that contribute to chemical binding and intermolecular interactions and their role in the properties of materials.
2. to describe and explain basic spectroscopic principles and their role and influence in spectroscopic experiments and tools and to calculate and explain the results obtained by spectroscopic or structural-chemistry experiments and to relate those to molecular and phase properties

in order to

• to be able to independently identify, explain, and predict the various environmental impacts of particular chemicals and to motivate a sustainable use of those
• as a professional, to be able to identify and investigate problems related to molecular and material properties and spectroscopic methods

Calculus in One Variable SF1625, Calculus in Several Variable SF1626, Algebra and Geometry SF1624 or equivalent courses.

And these courses:
- KE1140 Engineering Chemistry/KD1020 Introductory Chemistry
KD1230 Organic Chemistry, Basic Concepts and Practice/ KD1090 Organic Chemistry 1
KE1160 Thermodynamics/KD1040 Chemical Thermodynamics
or equivalent courses.

Atkins, de Paula, Keeler, Atkins' Physical Chemistry, 11th Oxford University Press 2017, ISBN: 978-0198769866

If the course is discontinued, students may request to be examined during the following two academic years.

• LAB1 - Laboratory Work, 1.5 credits, grading scale: P, F
• TEN1 - Written exam, 4.5 credits, grading scale: A, B, C, D, E, FX, F

Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.

The examiner may apply another examination format when re-examining individual students.

Examination 4,5 credits
Laboratory work 1,5 credits

Istvan Furo

• All members of a group are responsible for the group's work.
• In any assessment, every student shall honestly disclose any help received and sources used.
• In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.

KD2360 Quantum Chemistry
KD2320 Spectroscopic Tools for Chemistry

Will replace 3B1731