Question

In: Chemistry

What is the role of the Born-Oppenheimer approximation in molecular orbital Theory?

What is the role of the Born-Oppenheimer approximation in molecular orbital Theory?

Solutions

Expert Solution

Born-oppenheimer approximation makes the assumption that the motion of nuclei and the motion of electrons can be separated. According to this approximation the motion of nucleus is zero compared to the motion of electrons. Thus they can be separated. The motion of nucleus is said to be zero or a nucleus doesn't have any motion because the mass of nucleus is 100times more than that of electron. So it moves very slowly compared to the motion of electrons.

As a result of this approximation the molecular wavefunction can be written as:

(Psi)ne(r,R)=Xne(R)(psi)e(r,R)

Thus using this equation the molecular wavefunction of a molecule ( especially large molecules) can be determined easily.

queen_honey_blossom answered 2 years ago
Next > < Previous

Related Solutions

1) Discuss the role of the Born–Oppenheimer approximation in the calculation of a molecular potential energy...
1) Discuss the role of the Born–Oppenheimer approximation in the calculation of a molecular potential energy curve or surface. Why is spin-pairing so common for the features of bond formation (in the context of valence-bond theory)?
State the Born-Oppenheimer approximation and describe how its use simplifies the description of Hamiltonian operator for...
State the Born-Oppenheimer approximation and describe how its use simplifies the description of Hamiltonian operator for quantum chemical calculations. [4 Marks] By describing the underlying principles of Hartree-Fock theory and density functional theory, briefly compare and contrast the two methods.
Please answer these TRUE or FALSE questions. 1. True or False. The Born-Oppenheimer approximation accounts for...
Please answer these TRUE or FALSE questions. 1. True or False. The Born-Oppenheimer approximation accounts for scattering. 2. True or False. Tunneling is one way to approximate the solution to the Free Particle. 3. True or False. The coordinate version (x,y,z) of the Free Particle wavefunction can be normalized by including time. 4. The spin quantum number is used when combining the Hydrogen Atom and Free Particle models together.
Apply molecular orbital theory to predict which species has the strongest bond. Apply molecular orbital theory...
Apply molecular orbital theory to predict which species has the strongest bond. Apply molecular orbital theory to predict which species has the strongest bond. O+2 O−2 O2 All bonds are equivalent according to molecular orbital theory.
Molecular Orbital Theory -- Homodiatomics Use the molecular orbital model to fully describe the bonding in...
Molecular Orbital Theory -- Homodiatomics Use the molecular orbital model to fully describe the bonding in O2+, O2, O2-, and O22-. Determine which of the following statements are true and which are false. The electron configuration of O2- is (σ2s)2(σ2s*)2(σ2p)2(π2p)4(π2p*) The electron configuration of O2+ is (σ2s)2(σ2s*)2(σ2p)2(π2p)4(π2p*) The number of unpaired electrons in O2+ and O22- is, respectively, 1 and 2. The bond lengths increase in the order: O2+ < O2 < O2- < O22-. The bond order in O2+...
According to molecular orbital theory, what is the bond order of Li2− ?
According to molecular orbital theory, what is the bond order of Li2− ?
What feature of molecular orbital theory is responsible for bond formation?
What feature of molecular orbital theory is responsible for bond formation?
Correction to earlier question: Via the Born Oppenheimer Approximation, How do you go about solving for...
Correction to earlier question: Via the Born Oppenheimer Approximation, How do you go about solving for the wave function of H2+ and H2, once you've constructed the electronic schrodinger eq?
Explain the fundamental basis of molecular orbital theory.
Explain the fundamental basis of molecular orbital theory.
After thoroughly reviewing atomic orbital theory and molecular orbital theory, respond to the following: Explain how...
After thoroughly reviewing atomic orbital theory and molecular orbital theory, respond to the following: Explain how atomic orbitals interact and give rise to molecular orbitals. written in 250 words minimum
ADVERTISEMENT
Subjects
ADVERTISEMENT
Latest Questions
ADVERTISEMENT