Abstract
In this chapter is presented how the electron probability distributions of molecular states are imaged in real space using scanning tunneling microscopy. Differential tunneling conductance images of selected single molecules taken at voltages corresponding to resonances near the substrate Fermi level were found to be very close to their respective mono-electronic molecular orbitals. In contrast, high-order resonance states images were composed of molecular orbitals components from many states, even though those states lie in a lower energy range.
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Repp, J., Meyer, G., Stojkovie, S.M., Gourdon, A., Joachim, C.: Molecules on insulating films: STM images of individual molecular orbitals. Phys. Rev. Lett. 94, 026803 (2005)
Soe, W.-H., Manzano, C., De Sarkar, A., Chandrasekhar, N., Joachim, C.: Direct observation of molecular orbitals of pentacene physisorbed on Au(111) by scanning tunneling microscope. Phys. Rev. Lett. 102, 176102 (2009)
Soe W.-H., Manzano C., Wong H. S., Joachim C.: Mapping the first electronic resonances of a Cu-phthalocyanine STM tunnel junction. J. Phys.: Condes. Matter 24, 354011 (2012)
Soe, W.-H., Wong, H.S., Manzano, C., Grisolia, M., Hliwa, M., Feng, X., Mullen, K., Joachim, C.: Mapping the excited states of single hexa-peri-benzocoronene oligomers. ACS Nano 6, 3230 (2012)
Granovsky A. A.: Fierfly version 7.1.5 http://classic.chem.msu.su/gran/firefly/index.html
Scmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., Windus, T.L., Dupuis, M., Montgomery, J.A.: General atomic and molecular electronic structure system. J. Comput. Chem. 14, 1347 (1993)
Sautet, P., Joachim, C.: Calculation of benzene of rhodium STM images. Chem. Phys. Lett. 185, 23 (1991)
Sautet, P., Joachim, C.: Electronic transmission coefficient for the single-impurity problem in the scattering-matrix approach. Phys. Rev. B38, 12238 (1988)
Watson, M.D., Fechtenkotter, A., Mullen, K.: Big is beautiful: “Aromaticity” revisited from the viewpoint of macromolecular and supramolecular benzene chemistry. Chem. Rev. 101, 1267 (2001)
Hohenberg, P., Kohn, W.: Inhomogeneous electron gas. Phys. Rev. 136, B864 (1964)
Stewart, J.J.P.: Optimization of parameters for semi-empirical methods V: modification of NNDO approximations and applications to 70 elements. J. Mol. Model. 13, 1173 (2007)
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This work was supported by A*STAR (the Agency for Science, Technology and Research) funding under project no 1021100072.
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Soe, WH., Manzano, C., Joachim, C. (2013). Mapping the Electronic Resonances of Single Molecule STM Tunnel Junctions. In: Grill, L., Joachim, C. (eds) Imaging and Manipulating Molecular Orbitals. Advances in Atom and Single Molecule Machines. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-38809-5_5
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DOI: https://doi.org/10.1007/978-3-642-38809-5_5
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