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CSE-913 Modeling of Cluster compounds
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Campus
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RCMS
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Programs
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PG
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Session
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Fall Semester 2016
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Course Title
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Modeling of Cluster compounds
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Course Code
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CSE-913
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Credit Hours
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3-0
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Pre-Requisutes
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Computational Chemistry, Coordination Chemistry
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Course Objectives
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Decommention: There has been remarkable progress in the development of theoretical concepts in the field of cluster chemistry in recent years. The applications of molecular clusters range from their use in nanotechnology and catalysis to medical applications such as Boron Neutron Capture Therapy (BNCT) for cancer treatment. This course is designed to provide PhD students with an overview of the broad range of molecular clusters and their applications in chemistry and biology. Special emphasis is on theoretical concepts and latest computational advances in the field.
Objectives: At the end of this course, students will have broad knowledge of synthesis, applications, theoretical concepts, and computational studies of clusters of main block elements including boron hydride clusters, heteroboranes and macropolyhedral boranes. In addition, fullerenes, clusters of transition metals, and biological clusters will also be studied.
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Detail Content
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- Boron Hydride Chemistry
- Overview of Cluster Chemistry
- 2e-3c bonding in Boranes
- Heteroboranes
- Wades-Williams Formalism
- Macropolyhedral Boranes
- Stabilities of Macropolyhedral boranes relative to Single Clusters
- The mno rule
- Kiani-Hofmann Structural Paradigm in macropolyhedral boranes
- Major unexplored research areas in the chemistry of Boron Hydride Clusters
- Applications of Boron Hydride Clusters
- Clusters of Group-13 elements
- Borane analogues
- Clusters of aluminium, gallium and indium
- Computational studies
- Cages and clusters of Group-14 elements
- Clusters of silicon, germanium, tin and lead
- Computational Studies
- Cages and clusters of Group-15 elements
- Pn cages
- Cationic Pn+ and Asn+ clusters
- Bi clusters
- Computational studies of Group-15 clusters
- Chalcogenes clusters and cages
- Clusters of transition metals and their applications
- Fullerenes
- Iron-Sulfur clusters in Biology
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Text/Ref Books
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- Driess M, Nöth H: Molecular Clusters of the Main Group Elements, Wiley-VCH Verlag GmbH & Co. KGaA, 2005.
- Dyson PJ, McIndoe JS, Transition Metal Carbonyl Cluster Chemistry, Gordon and Breach Science Publishers, 2000.
- Günter S: Clusters and Colloids: From Theory to Applications, VCH Weinheim, 1994.
- Hirsch A, Brettreic M, Fullerenes: Chemistry and Reactions, Wiley-VCH, 2005.
- Johnson DC, Dean DR, Smith AD, Johnson MK: Structure, function, and formation of biological iron-sulfur clusters, Annu Rev Biochem 2005, 74:247-81.
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Time Schedule
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Faculty/Resource Person
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Associate Professor - Dr Farooq Ahmed Kiani
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