![]() ![]() Each molecular orbital has a calculated energy level. HOMO and LUMO are sometimes referred to as frontier orbitals. The energy difference between the HOMO and LUMO is termed the HOMO-LUMO gap. LUMO stands for lowest unoccupied molecular orbital. This video shows you how to draw the different molecular orbitals for a conjugated system, how to make sense of the logic without the crazy math, and how to quickly and easily identify HOMO and LUMO molecular orbitals. HOMO stands for highest occupied molecular orbital. The calculated HOMOLUMO gap, i.e. Video 2: HOMO and LUMO for Conjugated Systems HOMO stands for Highest Occupied Molecular Orbital, and HOMO refers to a bonding orbital. This video provides you with a logic-based overview of MO theory with simple take-aways to focus on at the organic chemistry level. But I see in Dmol 3 program these orbitals in Gamma point are predictable. Video 1: Molecular Orbital Theory for Sigma and Pi Bonds as far as I know we can not define frontier molecular orbitals (HOMO and LUMO) for periodic systems. MO theory typically comes up when studying reactions of conjugated systems, especially when asked to identify HOMO and LUMO molecular orbitals for molecules in Diels-Alder and other pericyclic reactions. Vacuum level Ca (2.8 eV) 3 Desirable LUMO energy range Al (4.1 eV) of LUMO level Au (5 eV) Eg 5 Desirable 4 HOMO energy range 6(a) Pt (6 eV) of HOMO. Molecular Orbital theory is a topic that comes up in general chemistry in relation to bond formation and bonding energy.Īt the organic chemistry level, we’re less concerned with the nitty-gritty quantum physics and crazy math and more interested in making just enough sense of the information to be able to apply what we know to reactions and mechanisms. ![]()
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