How to calculate the energy of the bonding state of a hydrogen molecule?

In summary, the conversation discusses how to calculate the energy of the bonding and antibonding states of a hydrogen molecule, as well as how to plot their wavefunctions. The speaker mentions that they have solved the Ψ(r,θ,Φ) for a hydrogen atom and calculated its energy states, but now needs help with the hydrogen molecule. They also mention the average bond energy for an H-H bond and the discrepancy in their calculations for the bonding energy state.
  • #1
Arafat Sagar
13
0
How to calculate the energy of the bonding state and antibonding state of a hydrogen molecule? and also how to plot the bonding and antibonding wavefunctions.


I have solved Ψ(r,θ,Φ) for a hydrogen atom. and calculated the energy states of it with complete analytical approach. now, i need to know about hydrogen molecule. please prescribe me any book or link that provides the way to calculate the the energy states and wavefunctions of hydrogen molecule either anlytically or numerically.
 
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  • #2
Average Bond Energy for H-H bond is - 436 kJ/mol

hence, the bonding energy state has an energy of

-{436*1000 / 6.02×1023}/1.602×10-19 electron volts/molecule
= - 4.52 eV
which is greater than -13.6

but bonding energy state must have lower than -13.6eV of energy. what's wrong with my concept?
 

Related to How to calculate the energy of the bonding state of a hydrogen molecule?

1. How do I calculate the energy of the bonding state of a hydrogen molecule?

To calculate the energy of the bonding state of a hydrogen molecule, you can use the formula E = -13.6 eV/n2, where n is the principal quantum number. The energy is measured in electron volts (eV). For a hydrogen molecule, n is equal to 1, resulting in an energy of -13.6 eV.

2. What is the significance of calculating the energy of the bonding state of a hydrogen molecule?

The energy of the bonding state of a hydrogen molecule is a crucial factor in understanding the stability and reactivity of the molecule. It also helps in predicting the behavior of the molecule in different environments and chemical reactions.

3. Can I use other units besides electron volts to measure the energy?

Yes, you can use other units such as joules (J) or kilojoules per mole (kJ/mol) to measure the energy of the bonding state of a hydrogen molecule. However, electron volts are the most commonly used unit in chemistry and physics.

4. How does the energy of the bonding state of a hydrogen molecule compare to other molecules?

The energy of the bonding state of a hydrogen molecule is relatively low compared to other molecules. For example, the energy of the bonding state of a carbon-hydrogen (C-H) bond is approximately 4 eV, while the energy of the bonding state of a nitrogen-hydrogen (N-H) bond is around 9.5 eV.

5. Can I use the same formula to calculate the energy of the bonding state of other molecules?

The formula E = -13.6 eV/n2 is specific to the energy of the bonding state of a hydrogen molecule. To calculate the energy of other molecules, you will need to use different formulas that take into account the number of electrons, the type of bond, and other factors.

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