What is the relationship between atomic structure and molecular orbital theory?

In summary, The conversation is about molecular orbital theory and its relation to atomic orbitals. It is explained that in MOT, valence electrons are considered to be associated with all nuclei in the molecule, and when two s orbitals overlap, anti-bonding can occur due to destructive interference. The speaker also offers advice on how to gain advanced knowledge in quantum mechanics.
  • #1
akashpandey
90
4
Plzz explain me molecular orbital& relation beetween atomic
 
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  • #2
Have you tried Wikipedia. Do you have NCERT texbook for class 11? They explain it properly. As an introduction,
"In VBt, the atomic orbitals are thought to remain even after bond formation. But in MOT, the valence electrons are considered to be associated with all the nuclei in the molecule. Hence orbitals of different atoms combine to form molecular orbitals"
 
  • #3
But i don't understand antibondig orbital.
 
  • #4
For simplicity, take s orbitals.
when two s orbitals A and B overlap, you have two cases. Either their wave functions have same sign or they have opposite signs.
when they have opposite signs, the waves are out of phase, hence destructive interference takes place and hence there is no electron density at the part where they tried to overlap, that is between their nuclei. This is called anti-bonding.
$$\psi_u=N(\psi_A-\psi_B) $$
 
  • #5
But how do u know all that things
Plzz say
In this forum how people get a lot of knowledge.
pleasez say me how to get advance knowledge in quantum machenics
 
  • #6
I am in 12th standard and I got this information by reading books. I am preparing for IIT, so I have to learn these concepts. In this forums, people like greg and others might have PhDs and are very experienced. You ask them their secret. I still have a long way to go.
 
  • #7
Before going to advanced theories, you have to learn about waves and thermodynamics. You should also be comfartable with basic mechanics like conservation of momentum and energy, torque, angular momentum and this happens only after you complete 12th grade. Thats why we learn advanced theories after 12th. So don't confuse yourselves with quantum mechanics now. You can however go through some articles in PF but get advice from senior members.
 

Related to What is the relationship between atomic structure and molecular orbital theory?

What is molecular orbital theory?

Molecular orbital theory is a model used in chemistry to describe the electronic structure of molecules. It combines the principles of quantum mechanics and the concept of atomic orbitals to explain the bonding and properties of molecules.

How does molecular orbital theory differ from valence bond theory?

Molecular orbital theory differs from valence bond theory in the way it describes the bonding between atoms. Valence bond theory focuses on the overlapping of atomic orbitals to form bonds, while molecular orbital theory considers the entire molecule as a whole and describes the bonding in terms of the distribution of electrons in molecular orbitals.

What is the difference between bonding and antibonding molecular orbitals?

Bonding molecular orbitals are formed by constructive interference between atomic orbitals, resulting in a lower energy state and a stable bond. Antibonding molecular orbitals, on the other hand, are formed by destructive interference and have higher energy, making them unstable and less likely to contribute to bonding.

How is molecular orbital theory used to predict the properties of molecules?

Molecular orbital theory can be used to predict the stability, reactivity, and electronic properties of molecules. By calculating the energy levels and distribution of electrons in molecular orbitals, we can determine the strength of bonds, the polarity of molecules, and their ability to undergo chemical reactions.

What are the limitations of molecular orbital theory?

Molecular orbital theory is a simplified model that does not account for the repulsion between electrons and the effects of nuclear motion. It also assumes that electrons are delocalized and do not take into account the directional nature of bonds. Additionally, the calculations involved in molecular orbital theory can be complex and time-consuming, making it difficult to apply to larger molecules.

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