Question

In: Chemistry

In physical chemistry I want to answer this In your own words explain the following terms:...

In physical chemistry I want to answer this
In your own words explain the following terms: 1) Born- oppenheimer Approximation , 2) molecular orbital , 3) overlap integral , 4) coulomb integral and 5) exchange integral

Solutions

Expert Solution

  1. Born- Oppenheimer Approximation

The Born- Oppenheimer approximation is that the separation of electronic motion and nuclear motion.

            ᴪ molecule = ᴪ electrons X ᴪ nuclei

It is used to calculate bond length energy between molecules.

It is used to calculate separation between nucleus and electron their wave function.

It is used to examine molecule energy relation to bond length.

  1. Molecular orbital

Molecular orbital is a wave like molecular structure which determines electrons in a molecule. Electrons having atoms, combination of atomic orbitals is called molecular orbital.

  1. Overlap integral

The quantitative measurement of overlapping of 2 atomic orbitals

S = φ1 φ2 .dτ

  1. Coulomb integral

The probability of one electron and another electron orbitals, there is a coulombic interaction between 2 electronic atoms due to the reason that integral is called coulomb integral.

  1. Exchange integral

In coulombic integral 2 electrons are involved one is positive energy and another one is negative energy. So, for destabilization coulombic repulsion between 2 electrons is called exchange integral.


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