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Course module: NWI-MOL056
NWI-MOL056
Chemical Bonding
Course infoSchedule
Course moduleNWI-MOL056
Credits (ECTS)3
CategoryBA (Bachelor)
Language of instructionDutch
Offered byRadboud University; Faculty of Science; Moleculaire Wetenschappen;
Lecturer(s)
Coordinator
dr. A.M. Rijs
Other course modules lecturer
Lecturer
dr. A.M. Rijs
Other course modules lecturer
Contactperson for the course
dr. A.M. Rijs
Other course modules lecturer
Academic year2016
Period
KW4  (10/04/2017 to 03/09/2017)
Starting block
KW4
Course mode
full-time
Remarks-
Registration using OSIRISYes
Course open to students from other facultiesYes
Pre-registrationNo
Waiting listNo
Placement procedure-
Aims

After this course, you:

  • are able to explain chemical bonding by using Quantum Chemicals Models
  • are able to construct and solve molecular orbitals and wavefunctions of covalent, ionic and delocalized bonds using the Variation method
  • are able to create and use hybrid orbitals to describe chemical bonds using Valence Bond Theory
  • can perform a Hückel calculation by applying symmetry in order to determine the binding energy and delocalization energy
Content
The chemical bonding in molecules will be explainen through quantummechanics. To do this an introduction is given in Molecular orbital (MO) theory and valence bond (VB) theory for H2. Also the relation between these theories will be discussed. The MO theory is applied to homo- and hetero-nuclear biatomics as well as multiple atomic molecules. Other topics are Pauli-principle, electron spin, Slaterdeterminants and localised vs delocalised bonds. We will discuss the construction and use of hybrid orbitals, and the Hückel model for describing conjugated bonds.
Literature

• Donald A. McQuarrie, Quantum Chemistry, 2nd edition 2008, University Science Books, ISBN-13:978-1-891389-50-4
Teaching formats

• 16 hours lecture
• 16 hours problem session
• 52 hours individual study period
Additional comments
The course will be taught in Dutch
Topics
• Born Oppenheimer approach
• Linear variation calculation
• Molecular orbital theory
• Valence bond theory
• Hückel theory
• Bonding in H2
• Bonding in homonuclear diatomics
• Bonding in heteronuclear diatomics
• Bonding in multiple atomic molecules
Test information
Written exam
Prerequisites
Quantummechanica 1 and 2 (NWI-MOL041 and NWI-MOL046)
This is a course in the theme 'Physics and mathematics'.
Required materials
Book
Donald A. McQuarrie, Quantum Chemistry, 2nd edition 2008, University Science Books
ISBN:9781891389504
Instructional modes
Lecture

Tutorial

Zelfstudie

Tests
Tentamen
Test weight1
OpportunitiesBlock KW4, Block KW4

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Kies de Nederlandse taal