MO Diagram of NO: Sigma vs Pi Bonding MOs

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In the discussion about the molecular orbital (MO) diagram of nitric oxide (NO), the focus is on whether electrons should fill the sigma molecular orbital (MO) or the pi MO first, considering their energy levels. It is noted that for diatomic 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. The conversation highlights the complexity of determining the MO diagram for NO, which lies between nitrogen and oxygen. Participants suggest using freely available MO programs like YaeHMOP or GAMESS for calculations, emphasizing the educational value of hands-on experience. The discussion also touches on the variability of the energy levels of sigma and pi bonding MOs across different elements, indicating that the order can change depending on the specific atomic composition, particularly between lithium to nitrogen and oxygen to neon.
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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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