12/22/2011 Kimia Reaksi Anorganik 2nd Mid-Semester Topics Yuniar Ponco Prananto • Frontier Orbitals (2 sks) • HSAB Application (5 sks) • Heterogeneous Acid Base Reaction (2 sks) • Reduction and Oxidation (12 sks): - Extraction of the Elements - Reduction Potential - Redox Stability in Water - Diagrammatic Presentation of Potential Data Frontier Orbitals …..summary Huheey, J.E., Keiter, E.A., and Keiter, R.L., 1993, Inorganic • Frontier orbitals, which are HOMO (highest occupied Chemistry, Principles of Structure and Reactivity , 4 th molecular orbital ) and LUMO (lowest unoccupied molecular ed., Harper Collins College Publisher, New York orbital ), has been focused nearly since the beginning of Miessler, D. L. and Tarr, D. A., 2004, Inorganic Chemistry , HSAB theory. 3rd ed., Prentice Hall International, USA • Koopman’s theorem , the energy of HOMO → the Atkins, P., Overton, T., Rourke, J., Shriver, D. F., Weller, M., ionization energy, while the energy of LUMO → the and Amstrong, F., 2009, Shriver and Atkins’ Inorganic electron affinity for a closed-shell spesies, in which both th Chemistry , 5 ed., Oxford University Press, UK orbitals are involved in the electronegativity and HSAB Gary Wulfsberg, 2000, Inorganic Chemistry , University relationships. Science Book, California, USA • Hard species → have a large HOMO – LUMO gap • Soft species → have a small HOMO – LUMO gap.
[email protected] 1 12/22/2011 Frontier orbitals is the HOMO (filled or partly filled) and the LUMO (completely or partly vacant) of a MOLECULAR ENTITY. HOMO is the highest-energy molecular orbital of an atom or molecule containing an electron. Most likely the first orbital, from which an atom will lose an electron.