Physical Chemistry Laboratory II.

(Physical Chemistry is made of 50 percent physics, 50 percent chemistry, and 50 percent imagination.)

Introduction

This course is intended to acquaint the students with the practice of experimental physical chemistry. Considerable effort has gone into linking the content of the labs with the topics of Physical Chemitry lectures. Nonetheless, the educational philosophy of the labs is that experimental physical chemistry has a life of its own.

The goal of the labs, therefore, is to provide a modest introduction to this area of scientific activity. Centuries of empiricism have been invested in man's present conceptual view of the physical world. It would be impossible to attempt to illustrate systematically the experimental basis of that view. Some principles will be illustrated in the labs, but many more will simply be applied to the problem at hand. The program is designed to provide a limited encounter with its methods, its fruits, and undoubtedly with some of its frustrations as well.

Following objectives will be pursued:

1. To apply the principles of quantum mechanics, spectroscopy, kinetics as presented in the physical chemistry lecture courses, in some illustrative experiments. To understand the interconnection between experimental foundation and underlying theoretical principles and to appreciate the limitations inherent in both theoretical treatments and experimental measurements.

2. To gain familiarity with a variety of physico-chemical measurement techniques. To develop laboratory skills and the ability to work independently.

3. To develop the ability of scientific communications through oral quizzes, written reports and presentations.

4. All of the projects involve spectroscopy of various kinds, and mechanistic and theoretical studies. This broad exposure to different approaches and techniques is very stimulating and helps to prepare students for a variety of future endeavors

Course - Requirements

Successful completion of the course requires:

1. 5 laboratory experiments. This includes an oral pre-lab quiz for each experiment, performance of the experiment in the laboratory, and a written report for each lab. The labs are divided into two sets: electronic structure/spectroscopy and chemical kinetics/reaction mechanisms. You need to finish all 5 labs. If you wish to do more than the required number of labs, special arrangements may be made with the instructor. The extra credit lab may be suggested by the student.
2. An oral presentation. You will give an oral presentation to the class about one of the labs from the course describing it to the other students in detail as independent research. Critique and suggestions about improvement of the lab would be particularly encouraged.

Proposed Laboratory Experiments.

• Introduction
  
• Security protocols. Statistical handling of data
  
• Electronic Structure and Spectroscopy.
• Hydrogen Molecule.
• Total Energy. Binding Energy
• Molecular Orbitals. Ionization energy. Electroaffinity.
• Polyatomic Molecules
  
• Potential Energy (Hyper)Surfaces. Geometry Optimization.
• Vibrational Frequencies. Normal Mode Analysis.
• Zero-Point Vibrational Energy.
• Molecular Symmetry. Z-Matrixes.
• Geometry Optimization.
• Vibrational Normal Mode Analysis.
• Chemical Kinetics and Reaction Mechanisims.
• Rate Constant, Rate Equation and Activation Energy.
• The Inversion of Ammonia. Minimum Energy Reaction Path.
  
• An S_N² Reaction. Ion-molecule Complex Intermediates.
  
• Photochemistry. Torsion of C=C Bonds. Excited State Dynamics.
  
• Pericicly Reactions. Woodward-Hoffmann Rules and the Conservation of Orbital Symmetry.
  
• Chemiluminescence. The Decay of Singlet Oxygen into its Triplet Ground State.

• D.P. Shoemaker, C.W. Garland and J.H. Nibler, Experiments in Physical Chemistry, 5th Edition, McGraw-Hill, New York, 1993.
• I.N. Levine, Physical Chemistry, 5th Edition, McGraw-Hill, New York, 2002.
  
• P.W. Atkins, Physical Chemistry, 6^th Edition, Oxford University Press, Oxford, 1998.

Format

Students are expect to come prepared to conduct the experiments. The necessary material can be found on the web site and in the text book. Details are provided on the web sites for appropriate labs. Students will demonstrate their readiness in the prelab quizzes some of the questions from which are supposed to be answered in a written form in their lab notebooks before coming to the lab. Each quiz will be graded (it is worth 5 points maximum) and, based on the grade, students may or may not be allowed to conduct the lab (3 points is the lowest passing grade).

Communications by E-mail:

Feel free to use E-mail to ask questions about the course or material, or to inquire about making an appointment. Any requests for changes in the course requirements, such as changing a deadline must be made in person or by telephone.

Dr. Jesus M. Ugalde
Kimika Fakultatea
Euskal Herriko Unibertsitatea
P.K.1072
20080 Donostia; Euskadi (Spain)

Voice : +34-943-018190
Fax   : +34-943-015270 
E-mail: jesus.ugalde@ehu.es
http://www.sc.ehu.es/chemistry/theory

Dr. Xabier Lopez
Kimika Fakultatea
Euskal Herriko Unibertsitatea
P.K.1072
20080 Donostia; Euskadi (Spain)

Voice : +34-943-018186
Fax   : +34-943-015270 
E-mail: xabier.lopez@ehu.es
http://www.sc.ehu.es/chemistry/theor