How to calculate the total energy of an atom

[JP16]

Homework Statement

1. Consider the boron oxide molecule, BO, in the ground state.

(a) Calculate total energies separately for each of B and O atoms (in their ground states).

Homework Equations

(1 Hartree = 27.212 eV, 1 eV = 23.045 kcal/mol).

The Attempt at a Solution

Etot = IE1 + IE2 ... but i do not know the values ..for each electron
so I considered IE = EB+ - EB
... but I am still confused ... I want to to know how to start the problem ?

 

[mark726]

To calculate the total energies for each atom in the ground state, you will need to use the ionization energies (IE) of boron and oxygen. These values can be found in a periodic table or in a reference book. For the purposes of this problem, we will use the following values: IE(B) = 8.298 eV and IE(O) = 13.618 eV.

To calculate the total energy for each atom, you will need to use the equation: Etot = IE1 + IE2, where IE1 is the ionization energy for the first electron and IE2 is the ionization energy for the second electron. For boron, the total energy would be: Etot(B) = 8.298 eV + 8.298 eV = 16.596 eV. For oxygen, the total energy would be: Etot(O) = 13.618 eV + 13.618 eV = 27.236 eV.

To calculate the total energy for the BO molecule, you will need to add the total energies for each atom together. Therefore, the total energy for BO in the ground state would be: Etot(BO) = 16.596 eV + 27.236 eV = 43.832 eV.

To convert this value to kcal/mol, you will need to use the conversion factor provided in the homework statement. Therefore, the total energy for BO in the ground state in kcal/mol would be: 43.832 eV x 23.045 kcal/mol = 1007.81 kcal/mol.

I hope this helps you to understand how to start the problem. Please let me know if you have any further questions. Good luck!