1. Observations of Mixed-Valence Di- and Trinuclear Organometallic Complexes on a Au(111) Surface Rebecca C. Quardokus Natalie A. Wasio

2. Bi- and Trinuclear Organometallic Molecules Trans-[Cl(dppe) 2 Ru(C≡C) 6 Ru(dppe) 2 Cl] “Ru2” {Cp*(dppe)Fe(CC-)} 2 (1,3-C 6 H 4 ) “m-Fe2” {Cp*(dppe)Fe(CC-)} 2 (1,4-C 6 H 4 ) “p-Fe2” {Cp*(dppe)Fe(CC-)} 2 (1,3,5-C 6 H 4 ) “Fe3”

3. Neutral Molecules

4. Oxidation Reaction + +

5. Mixed-Valence Molecules + + + +++ +

6. + + + +

7. Quantum Cellular Automata Show Movie

8. Study Single Molecules on a Surface Use STM to study the properties of single molecules on the surface. Do single molecules on a surface possess the same electronic properties as solvated ensembles?

9. Scanning Tunneling Microscopy How do we get information about the electron density on the surface? A. M. Moore, P. S. Weiss, Annual Review of Analytical Chemistry, 1, 857-882, (2008).

10. Previous Work Neutral Ru2 250 Å ｘ 180 Å Mixed-Valence Ru2 110 Å ｘ 105 Å

11. meta-Fe2 66 Å ｘ 61 Å 175 Å ｘ 179 Å Neutral Mixed Valence

12. C-DFT Calculations for MV meta-Fe2 66 Å ｘ 61 Å Experimental STM imageTheoretical STM images

13. para-Fe2 137 Å ｘ 122 Å 498 Å ｘ 340 Å Neutral Mixed Valence 54 Å ｘ 48 Å

14. Mixture of meta-Fe2 and para-Fe2 Unoccupied orbitalsOccupied orbitals 162 Å ｘ 159 Å m-Fe2 p-Fe2 + +

15. Fe3 Proposed Work Fe3 + Fe3 2+ Study occupied and unoccupied orbitals Neutral Fe3, 187 Å ｘ 91 Å Neutral Fe3, 81 Å ｘ 58 Å

16. Moving Molecules 269 Å ｘ 51 Å 269 Å ｘ 55 Å 269 Å ｘ 69 Å Proposed Work Study influences of neighboring molecules

21. Thank You Dr. S. Alex Kandel Dr. J. Dan Gezelter Dr. Prashant V. Kamat Dr. Marya Lieberman The Kandel Lab

23. Mixed-Valence p-Fe2 488 Å ｘ 177 Å 355 Å x 137 Å

24. Mixed-Valence m-Fe2 230 Å ｘ 170 Å

25. Neutral m-Fe2 398 Å ｘ 367 Å 335 Å ｘ 323 Å 210 Å ｘ 158 Å

26. Previous Work on Fe2 X-ray Crystallography Infrared Spectroscopy Mössbauer Spectroscopy Electron Spin Resonance UV-Vis Spectroscopy Density Functional Molecular Orbital Calculation