Physical Organic Chemistry
The aim of the discipline is to understand the intimate relationship between structure, properties and reactivity of organic compounds.
As far as competencies are concerned, in addition to the aims of formation in this scientific area, it is expected that Physical Organic Chemistry will enable the student to understand emerging knowledge areas such as Bioorganic and Organometallic Chemistry, Supramolecular Chemistry, Material Sciences and Nanotechnologies.
João Carlos dos Santos Silva e Pereira de Lima, Nuno Miguel Jesuíno Basílio
Weekly - 2
Total - 36
E. V. Anslyn, D. A. Dougherty, Modern Physical Organic Chemistry, 1st Edition, University Science Books, 2006
F. A. Carroll, Perspectives on Structure and Mechanism in Organic Chemistry, 1st Edition, Pacific Grove, CA, 1997
H. Lowry, K. S. Richardson, Mechanism and Theory in Organic Chemistry, 3rd Edition , Harper & Row Publishers, 1987
P. A. Sykes, A Guidebook to Mechanism in Organic Chemistry, 7th Edition, Longman, 1980
Dicussion of theoretical fondamental concepts.
Illustration with simple examples.
Problem solving about every subject.
Permanent tutorial suppot.
Continuous evaluation. Coordination with other disciplines of the curriculum.
Continuous evaluation by 2 or 3 Tests, during the semester.
Alternatively, final examination (written and/or, eventually, oral).
1. Molecular Structure and Chemical Thermodynamics
Review of basic bonding concepts
Modern Theory of Organic Bonding
Molecular orbital theory
Strain and Stability
2. Reactivity, Kinetics and Mechanism
Potential Energy Surfaces
Reaction coordinate diagrams. Transition states. Reaction order and rate constants
3. Linear Free Energy Relationships
Sigma and Rho Values. Deciphering reaction mechanisms. Prevision of rate and equilibrium constants.
4. Frontier Molecular Orbital Theory
Frontier orbitals HOMO and LUMO
Charge vs. Orbital control
5. Pericyclic Reactions
Cycloaddition, Electrocyclic, Sigmatropic and Cheletropic reactions
Conservation of Orbital Symmetry
Programs where the course is taught: