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3.1.1 Orbital state energy level: ... Elementary examples that show mathematically how energy levels come about are the particle in a box and the quantum harmonic ...
The specific orbital energy associated with this orbit is −29.6 MJ/kg: the potential energy is −59.2 MJ/kg, and the kinetic energy 29.6 MJ/kg. Compared with the potential energy at the surface, which is −62.6 MJ/kg., the extra potential energy is 3.4 MJ/kg, and the total extra energy is 33.0 MJ/kg.
Molecular orbital diagrams are diagrams of molecular orbital (MO) energy levels, shown as short horizontal lines in the center, flanked by constituent atomic orbital (AO) energy levels for comparison, with the energy levels increasing from the bottom to the top. Lines, often dashed diagonal lines, connect MO levels with their constituent AO levels.
For example, the orbital 1s (pronounced as the individual numbers and letters: "'one' 'ess'") is the lowest energy level (n = 1) and has an angular quantum number of ℓ = 0, denoted as s. Orbitals with ℓ = 1, 2 and 3 are denoted as p, d and f respectively. The set of orbitals for a given n and ℓ is called a subshell, denoted
Degenerate states are also obtained when the sum of squares of quantum numbers corresponding to different energy levels are the same. For example, the three states (n x = 7, n y = 1), (n x = 1, n y = 7) and (n x = n y = 5) all have = and constitute a degenerate set.
Complete acetylene (H–C≡C–H) molecular orbital set. The left column shows MO's which are occupied in the ground state, with the lowest-energy orbital at the top. The white and grey line visible in some MO's is the molecular axis passing through the nuclei. The orbital wave functions are positive in the red regions and negative in the blue.
For example, in the transition metals, the 4s orbital is of a higher energy than the 3d orbitals; and in the lanthanides, the 6s is higher than the 4f and 5d. The ground states can be seen in the Electron configurations of the elements (data page) .
If existent, the molecular orbitals at one energy level below the HOMO and one energy level above the LUMO are also found to play a role in frontier molecular orbital theory. They are named NHOMO for next-to-highest occupied molecular orbital and SLUMO for second lowest unoccupied molecular orbital. [5]