Molecole etero-omonucleari Flashcards
What is the significance of 2p orbitals in N2 molecule?
Dobbiamo considerare 3 coppie di elettroni da
accoppiare, ottenendo otto (2^3) determinanti di Slater.
What is the significance of outer 2s orbitals in Li2 molecule?
The outer 2s orbitals in Li2 molecule are important for the formation of the bond.
What is the VB function for N2 molecule?
The VB function for N2 molecule can be written as a Slater determinant of eight determinants of Slater with different spin couplings.
What is the MO function for N2 molecule?
The MO function for N2 molecule can be written as a determinant of 2s and 2p atomic orbitals.
What is the VB function for Li2 molecule?
The VB function for Li2 molecule can be written as a Slater determinant of two 1s and two 2s atomic orbitals, with the important spin coupling between the outer 2s orbitals.
What is the VB function for He2 molecule?
The VB function for He2 molecule can be written as a Slater determinant of two 1s and two 2s atomic orbitals.
What is the MO function for He2 molecule?
The MO function for He2 molecule corresponds to the configuration (σg1s)2(σ∗u1s)2 and can be written as a Slater determinant.
What is the significance of valence shell in MO function for Li2 molecule?
In MO function for Li2 molecule, the valence shell contributes more to the bond formation than the inner shells.
What is the difference between the energy matrix of homonuclear and heteronuclear diatomic molecules?
In heteronuclear diatomic molecules, the energy matrix has different diagonal elements compared to homonuclear diatomic molecules.
What is the electron configuration of the CO molecule in its ground state?
The electron configuration of the CO molecule in its ground state is (σ1s)2 (σ∗1s)2 (σ2s)2 (σ∗2s)2 (π2p)4 (σ2p)2.
What orbitals of F combine with the 1s orbital of H in the formation of the HF bond?
The 2s and 2px orbitals of F combine with the 1s orbital of H in the formation of the HF bond.
What is the electron configuration of the HF molecule in its ground state?
The electron configuration of the HF molecule in its ground state is 1σ2 2σ2 3σ2 1π4.
What is the significance of the coefficients in MO theory?
The coefficients in MO theory define the contribution of each atomic orbital to the molecular orbital.
