Physical Organic Chemistry
Code
11264
Academic unit
Faculdade de Ciências e Tecnologia
Department
Departamento de Química
Credits
3.0
Teacher in charge
Abel José de Sousa Costa Vieira
Weekly hours
2
Total hours
42
Teaching language
Português
Objectives
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 scientifica area, it is expected that Physical Organic Chemistry will enable the student to understand emerging knowledge areas such as Bioorganic and Organometalic Chemistry, Supramolecular Chemistry, Material Sciences and Nanotechnologies.
Prerequisites
As a 2nd Bologna Cycle discipline, Physical Organic Chemistry requires a solid fondamental formation (at 1st Cycle level) in Physical Chemistry, general Organic Chemistry and Reaction Mechanisms.
Subject matter
1. Molecular Structure and Chemical Thermodynamics
Review of basic bonding concepts
Modern Theory of Organic Bonding
Molecular orbital theory
Strain and Stability
Structure/Energy Relationships
Binding forces
Stereochemistry
2. Reactivity, Kinetics and Mechanism
Potential Energy Surfaces
Reaction coordinate diagrams. Transition states. Reaction order and rate constants
3. Linear Free Energy Relationships
Hammett Plots
Sigma and Rho Values. Deciphering reaction mechanisms. Prevision of rate and equilibrium constants.
4. Frontier Molecular Orbital Theory
Frontier orbitals HOMO and LUMO
HSAB Principle
Charge vs. Orbital control
5. Pericyclic Reactions
Cycloaddition, Electrocyclic, Sigmatropic and Cheletropic reactions
Conservation of Orbital Symmetry
Bibliography
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
Teaching method
The classes consist in a unique 2h session per week.
The lectures will be of theoretical-practical type, where the theoretical concepts will be illustrated with examples, followed by problem solving exercises by the students.
Evaluation method
Continuous evaluation by 2 or 3 Tests, during the semester.
Alternatively, final examination (written and/or, eventually, oral).
In the case of both Tests and final Examination, the final grade will the better one.