How to get N2 molecule orbital theoretically

In summary, the energy levels of N2 molecules can be calculated using the Schrodinger equation, which takes into account the mass, charge, and positions of the nuclei and electrons. These energy levels are influenced by factors such as the number of electrons, distance between nuclei, and shape of the molecule. Each orbital can hold a maximum of two electrons, based on the Pauli exclusion principle. The molecular orbital theory explains bonding in N2 molecules by combining individual atomic orbitals to form molecular orbitals. These levels can be experimentally determined through techniques like photoelectron spectroscopy and electron energy loss spectroscopy.
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How to get N2 molecule orbital theoretically with quantum chemistry program like GAUSSIAN !for example, how to get the picture attached? Thank you!
 

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Related to How to get N2 molecule orbital theoretically

1. How do you calculate the energy levels of N2 molecules?

The energy levels of N2 molecules can be calculated using quantum mechanical principles, specifically the Schrodinger equation. This equation takes into account the mass, charge, and positions of the nuclei and electrons in the molecule to determine the energy of the orbitals.

2. What factors influence the orbital energy levels of N2 molecules?

The orbital energy levels of N2 molecules are influenced by several factors, including the number of electrons in the molecule, the distance between the nuclei, and the overall shape of the molecule. These factors affect the forces between the nuclei and electrons, which in turn determine the energy levels of the orbitals.

3. How many electrons can occupy each orbital in a N2 molecule?

The orbitals in a N2 molecule can hold a maximum of two electrons each. This is based on the Pauli exclusion principle, which states that no two electrons in an atom or molecule can have the same set of quantum numbers. Therefore, each orbital can only have one electron with a spin up and one with a spin down.

4. How does the molecular orbital theory explain the bonding in N2 molecules?

The molecular orbital theory explains bonding in N2 molecules by combining the individual atomic orbitals of the nitrogen atoms to form molecular orbitals. These molecular orbitals have different energies and shapes, and the electrons in them are shared between the two nuclei, resulting in a stable bond between the two atoms.

5. Can the orbital energy levels of N2 molecules be experimentally determined?

Yes, the orbital energy levels of N2 molecules can be experimentally determined through techniques such as photoelectron spectroscopy and electron energy loss spectroscopy. These methods involve measuring the energy of electrons that are ejected from the molecule when it is exposed to high-energy photons or electrons, respectively.

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