CHEM 5620, Physical Methods in Chemistry

Spring, 2003

Department of Chemistry

University of North Texas

Detailed resources for class notes:
* Download X-ray notes #1
* DOWNLOAD X-RAY NOTES #2
* DOWNLOAD X-RAY NOTES #3
* DOWNLOAD X-RAY NOTES #4

* Download papers discussed in class about magnetism:
    Paper 1
    Paper 2
* Click here to download Homework set #3.

* Papers about microwave spectroscopy (presented 3/12/03):
           1) AuCl and AuBr
           2) AuF
           3) Covalent bonding of AuCl to Noble gases (Ar-AuCl and Kr-AuCl)
           4) Cu(CO)Cl
           5) Ag(CO)Cl
           6) Au(CO)Cl
           7) From theory to applications: Pd(CO)

* PowerPoint presentation about Raman spectroscopy: presented in class 3/3/03

Lectures1-3, 1/13/03, 1/15/03, and 1/17/03:
    * Sections 1.3, 1.6 of your textbook
    * Literature papers:
           Tetrahedron 2002, 58, 3923-3928.
           J. Am. Chem. Soc. 2002, 124, 4570-4571.
           J. Am. Chem. Soc. 2001, 123, 9689-9691.
           J. Am. Chem. Soc. 2000, 122, 11264-11265.
           J. Phys.Chem. B. 2000, 104,  3507-3517.
           J. Am. Chem. Soc. 2001, 123, 1613-1624.

Lectures 4 and 5, 1/22/03 and 1/24/03:
    Topic:
    * Electronic absorption spectroscopy.
    * Spin- and Laporte selection rules for:
            - atomic spetra
            - molecular spectra for centrosymmetric molecules
    Resources:
    * Douglas, B. E.; Hollingsworth, C. A. "Symmetry in Bonding and Spectra: An Introduction", Academic Press: Orlando, 1985, Chapter 9 (Handout is on reserve in the library).
    * Literature paper:
        J. Am. Chem. Soc. 1968, 90, 5721-5729.
        (You went through this paper in detail, so make sure you can understand it).

Lecture 6, 1/27/03:
    TopicS:
    * Spin- and Laporte selection rules for non-centrosymmetric molecules
    Resources:
    * Same as above: Douglas, B. E.; Hollingsworth, C. A. "Symmetry in Bonding and Spectra: An Introduction", Academic Press: Orlando, 1985, Chapter 9 (Handout is on reserve in the library).

Lecture 7, 1/29/03:
    Topics:
    * Reasons for observing d-d transitions even if they were spin- and Laporte-forbidden
    * Franck-Condon Principle and factor.
    Resources:
    * Same as above: Douglas, B. E.; Hollingsworth, C. A. "Symmetry in Bonding and Spectra: An Introduction", Academic Press: Orlando, 1985, Chapter 9 (Handout is on reserve in the library).
    * Drago (on reserve)

Lecture 8, 1/31/03:
    Topics:
    * Magnetic-dipole transitions
    * Introduction to Circular Dichroism (CD)
    * Oscillator strength and extinction coefficients to measure intensities of electronic absorptions.
    * Homework set #1 distributed--
           - DOWNLOAD A PDF FILE (Hard copies given in class)
            - DUE WEDNESDAY 2-5-2003
    Resources:
    * Same as above: Douglas, B. E.; Hollingsworth, C. A. "Symmetry in Bonding and Spectra: An Introduction", Academic Press: Orlando, 1985, Chapter 9 (Handout is on reserve in the library).
    * Drago (on reserve)

Lecture 9, 2/3/03:
    Topics:
    * Selection rules in Circular Dichroism (CD)
    * Applications of CD (see papers from the literature in the resources below, which we discussed in class)
    Resources:
    * Same as above: Douglas, B. E.; Hollingsworth, C. A. "Symmetry in Bonding and Spectra: An Introduction", Academic Press: Orlando, 1985, Chapter 9 (Handout is on reserve in the library).
    * Drago (on reserve)
    * Papers discussed about using CD in various applications:
Paper #1    (Assignment of electronic transitions): JACS 2002, 124, 13842-13855.
Paper #2    (Enantioselectivity and diastereoselectivity): JACS 2002, 124, 14631-14641.
Paper #3    (Supramolecular chemistry and asymmetric catalysis): JACS 2002, 124, 12948-12949.

Lectures 10-12, 2/5,7,10/03:
    Topics:
    * Principles of luminescence spectroscopy

    Major resource:
    * Omary, M. A.; Patterson, H. H. "Luminescence Theory".  In "Encyclopedia of Spectroscopy &
Spectrometry" Academic Press, London, UK, 2000, pp. 1186-1207. (Handout distributed in class).

Lectures 13 and 14, 2/12/03 and 2/14/03:
    Topics:
    * Three case studies of luminescent materials:
        1. A simple diatomic system: Hg2
        2. Organic luminophores: anthracene and its amide and ester derivatives.
        3. Inorganic luminophores: Ba[Pd(CN)4]
    Resources:
    * Omary, M. A.; Patterson, H. H. "Luminescence Theory".  In "Encyclopedia of Spectroscopy &
Spectrometry" Academic Press, London, UK, 2000, pp. 1186-1207. (Handout distributed in class).
    * Czuchaj, E.; Rebentrost, F.; Stoll, H.; Preuss, H. Chem. Phys. 1997, 214, 277-289.

Lecture 15, 2/17/03:
    Topics:
    * Electrochemical methods in relation to electronic spectroscopy.
    * General introduction to cyclic voltammetry.
    * Case study: Pt(diimine)(dithiolate) complexes: tuning the excited state properties and potential use as solar cell dyes.

    Resources:
    * Harris, D. C. "Quantitative Chemical Analysis", Freeman: New York, 1995, pp. 503-505 (Handout distributed in class for Figs 18-20 and 18-21).
    * Cummings, S. D.;  Eisenberg, R. J. Am. Chem. Soc. 1996, 118, 1949-1960.
 
 

Announcements:

1/13 Make sure you buy your textbook!
1/13 Reading assignment: Section 1.6 (important)
 

Lecture: Masters Hall, Room 319, MWF 1:00-1:50 PM
Instructor: Dr. Mohammad A. Omary
Office: 306 Masters Hall
Telephone: 565-2443
E-mail: omary@unt.edu
Office hours: Available most times on a drop-in or appointment basis.
Course pre-requisite: CHEM 5560 (inorganic proficiency)
Course resources: 
Course web page: Click on the course link in http://www.chem.unt.edu/faculty/omary.htm

Tentative schedule:

The topics covered before each exam are shown below. A brief description of what we discussed in each class and the resources used (including any literature articles) will be posted on the course web site after each class is finished. Therefore, you are required to consult with the course web site on a regular basis. The schedule is subject to change during the semester.

Exam 1 Material:
o Molecular absorption (UV/VIS/NIR)
o Photoluminescence
o Circular dichroism
o Electrochemical methods
o Infrared (IR)
o Raman and resonance Raman
o Microwave

EXAM 1, Friday 2/21/2003

Exam 2 Material:

EXAM 2, Friday 3/14/2003

Exam 3 Material:
o Single crystal and powder X-ray diffraction
o Neutron diffraction
o Mass spectrometry
o Photoelectron spectroscopy (UPS and XPS)
o Scanning Tunneling Microscopy (STM)
o Atomic Force Miscroscopy (AFM)
o HREELS, EXAFS, and XANES

EXAM 3, Friday 5/2/2003

No final exam.But the term paper is due 5/9/2003 (electronic submission required).
Grading:
Exam 1: 25%
Exam 2: 25%
Exam 3: 25%
Term paper/class presentation: 25%
Disability accommodations:
All reasonable accommodation will be made to facilitate special needs. However, it is the student's responsibility to make any special needs known to the instructor. It is recommended that students with special needs first meet with the staff of the Office of Disability Accommodation (ODA), Union 324, 565-4323, then meet with the instructor. For more information, see the ODA website.