1. Discovering the Real World of Molecular Structures: Interactive Computer Visualization Tools and Learner-centered Activities Scott A. Sinex Department of Physical Sciences and Engineering Prince George’s Community College Presented as part of REACTS/ACS High School Teachers Day at the 230 th National Meeting of the American Chemical Society in Washington, DC on 28 August 2005.

2. How do I represent thee, let me count the ways... benzene C6H6C6H6

3. and count the ways... So what is a poor chemistry student suppose to do?

4. Are students still in flatland? Where are our students?

5. Objectives... Two very useful computer visualization tools to complement model kits Support documentation for technology Classroom activities following national science education standards

6. ...and what is it going to cost? 0 $ ! So what is the technology...

7. ChemSketch (from ACD Labs)ChemSketch –chemical structure and general drawing –copy and paste into documents, export as gif, 3D optimize and export as Chime file Chime (from MDL)Chime –molecular structure rendering – 3D structures –installs as browser plug-in –works freestanding or incorporated into web pages Molecular Visualization Tools

8. The uses in the classroom… Multiple representations –2D to 3D in various modes Interactive viewing of molecules Measurements on molecules – –Bond lengths –Bond angles –Torsion angles Molecular geometry and discover distortions due to lone pairs of electrons and bulky groups

9. …and more uses Molecular geometry and polarity using electrostatic potential maps Molecular structure and reactivity –Attack points –Cartoons for proteins, nucleotides Animations –Reaction mechanisms –Molecular vibrations ChemSketch can build molecules for Chime

10. Support documentation ChemSketch: A Guide to Drawing Chemical Structures Student Guide to the Use of Chime Student Guide to the Use of Chime (interactive html tutorial by menu steps) Creating Chime Web Pages in FrontPage Creating Chime Web Pages in FrontPage (includes hot links to molecule sources)

11. Examples from ChemSketch Chemical structures and drawing plus many templates

12. O OHC CH 3 O O - C CH 3 acetic acidacetate Compare two proteins hemoglobinconcanavalin Carbon – oxygen bond lengths Free standing use of Chime: Drawn in ChemSketch Measure and compare C-O bonds in each. Changes to the cartoons display and then color, chains to see structure

13. Online Activities... The World of MoleculesThe World of Molecules – introduction to molecular geometry from Styrofoam balls to physical model kits to virtual exploration (scroll down page) Structure and Bonding Structure and Bonding (wealth of short activities) Discovering Intramolecular Interactions Molecules in Motion Studying Vibrations in Molecules Chime in web pages:

14. Why? Interactive and discovery-based (just have to ask the right questions!) Explore multiple modalities used by chemists Explore more complicated molecules especially biological molecules

15. Caution!!! Many incorrect structures are available on the Internet Keep the ball-&-stick model kits handy Good plastic, snap together models (MolyMod) are available from Indigo.Indigo

16. Really can’t get enough... Empowering Student Learning with Molecular Visualization Tools in Discovery-based General Chemistry Interactive Visualization of Chemical Structures in Biology, Chemistry, and Geology Instructional Technology Tools

17. More information... Webpage http://academic.pgcc.edu/~ssinex E-mail ssinex@pgcc.edu ChemSketch (from ACD Labs) http://www.acdlabs.com/download/chemsk.html Chime (from MDL) http://www.mdli.com/downloads/index.jsp

18. To Jack Dibler, PGCPS, and Elena Pisciotta, MCPS for the invitation to REACTS 2005. REACTS To Barb Gage for being a constant collaborator. To MDL and ACD Labs for the freeware!