I want to compare the stability of two molecules in a reaction by calculating its HOMO energy. May it get?
That is correct because less energy is required for promotion of electrons in molecules with higher HOMO energy?
The lower the energy of the HOMO, the more stable the compound might become. The HOMO is not enough to predict its reactivity. The energy of the LUMO and the relative occupancy of the HOMO and the LUMO also play a role. For example, if the HOMO is not filled, this makes the compound very susceptible to reduction even if the HOMO has a low energy.
Why are molecules with lower HOMO energy more stable than molecule with higher HOMO energy?
It is a law of nature (remember the laws of thermodynamics) that higher energy means lower stability.
Yes the molecule with lower HOMO energy is more stable than molecule with higher HOMO energy . When the electron enters in lower Highest Occupied Molecular Orbital (HOMO) then energy difference it and ground state energy level is smaller , hence it tends to be more stable than that (HOMO)having higher energy..
What about the relation between HOMO, LUMO and the bioactivity of compounds?
- Badges
- Science topic
- Similar topics
- Force