MO Diagram of NO: Sigma vs Pi Bonding MOs

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SUMMARY

The discussion centers on the molecular orbital (MO) diagram of nitric oxide (NO) and the order of filling for sigma and pi bonding molecular orbitals. It is established that for oxygen (O2), the sigma bonding MO is lower in energy than the pi bonding MO due to the energy difference between the 2s and 2pz orbitals. However, the energy relationship between sigma and pi bonding MOs can vary for different elements, particularly between nitrogen (N) and oxygen (O). Participants suggest using MO programs like YaeHMOP or GAMESS to analyze these orbital configurations further.

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  • Understanding of molecular orbital theory
  • Familiarity with the concepts of sigma and pi bonding
  • Knowledge of the energy levels of atomic orbitals (2s, 2p)
  • Experience with computational chemistry software such as YaeHMOP or GAMESS
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  • Learn how to use YaeHMOP for molecular orbital calculations
  • Explore GAMESS for advanced computational chemistry simulations
  • Study the molecular orbital diagrams of other diatomic molecules
  • Investigate the variations in sigma and pi bonding energy levels across different elements
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Chemistry students, educators, and computational chemists interested in molecular orbital theory and its applications in understanding bonding in diatomic molecules.

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I would like to know, in the MO diagram of NO should electrons put in the sigma MO first or pi MO first?
that means , which one has a lower energy level for the MOs.


For O2 , sigma was lower than pi bonding MO because of energy difference between 2s and 2pz, interaction say goodbye

There is a line between N and O... so what about NO ?

Thanks
 
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Why don't you just try to calculate it with any freely available MO Program e.g. YaeHMOP, gamess?
They aren't too difficult to use, run on any pc nowadays and you can learn a lot from it!
 
so, what can you guess or do when you attend an exam without pc?

The major things I would like to know is the "in between", either one must be the correct MO diagram, right?
 
sigma is always lower than pi (or do you mean sigma*?)
 
not sigma*, it's sigma

the relative position between sigma and pi bonding MO can vary from Li to N, and O to Ne
 

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