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- Consider a N2 molecule in its first excited electronic state. (a) Identify the molecular orbitals involved and sketch a diagram to show the transition (b) Compare the bond order and bond length of N2* with N2, where the asterisk denotes the excited molecule. (c) Is N2* diagmagnetic or paramagnetic? (d) When N2* loses its excess energy and converts to the ground state N2, it emits a photon of wavelength 470 nm. Calculate the energy difference between these levels. thank you so muchN2 and CN' are both isoelectronic. (i) Draw the molecular orbital diagram for N2 and CN molecules. (ii) Explain why CN is a toxic substance but N2 isn't. (iii) N2(g) is an inert gas that is suitable for a wide range of application. Would you expect N2" to be a stable diatomic species in the gaseous state? Explain your answer.(A)Write the Hückel Hamiltonian matrix for benzene. (B)The pictures below represent a top view of the molecular orbitals for benzene. They are labeled from A to F, in no order. Place the labels A, B, C, etc., in the boxes according to their energy. SHOW THE NODES. (B)
- 9A.2 Write the valence bond wavefunction of the o bond in a C-H group of a molecule.Many of the colours of vegetation are due to electronic transit ions in conjugated π-electron systems. In the freeelectron molecular orbital (FEMO) theory. the electrons in a conjugated molecule are treated as independent particles in a box of length L. (a) Sketch the form of the two occupied orbitals in butadiene predicted by this model and predict the minimum excitation energy of the molecule. (b) In many cases. an extra half bond-length is often added at each end of the box. The tetraene CH2=CHCH=CHCH=CHCH=CH2 can therefore be t reated as a box of length 8R. where R = 140 pm. Ca lcu late the minimum excitation energy of the molecule and sketch the HOMO and LUMO.Sketch the shape and orientation of the following types oforbitals: (a) s, (b) pz, (c) dxy.
- (1) (a) Draw an energy level diagram showing the ground state electronic struc- ture of each of the following diatomics: H₂, N2, O2, F2, and Ne₂. (b) Use the above diagram to predict the bond order of each of these diatomics. (c) Use the same procedure to predict the bond order of C and OThe potential energy function for either one of the two atoms in a diatomic molecule is often approximated by U(x) a b = x22 x11 where x is the distance between the atoms. a. At what distance of separation does the potential energy have a local minimum (not at x = Express your answer algebraically. xmin b. What is the force on an atom at this separation? F(x = 2min)= N ∞)?Q2. 22 (a) Write down the Hamiltonian of a molecule having M nuclei and N electrons with a dear definition for each term. (b) Derive the binding energy for the H2 molecule in terms of Coulomb (J), exchange (K) and overlap (S) integrals using valence bond (VB) theory. Write down the singlet and triplet wavefunctions for an H₂ molecule using VB theory. (c) Draw the MO-diagram for a general diatomic molecule. Show the electronic configuration of F2*, F2 and discuss their bond properties and relative stabilities.
- E9E.6(a) Write the electronic hamiltonian for HeH*.(a) Use the simple one-electron molecular orbital method, including overlap, to calculate the energies of the molecular orbitals of the hydrogen molecule (H2) in terms of α, β and S?Three biologically Important diatomic species,either because they promote or inhibit life, are (a) CO, (b) NO, and (c) CN−. The first binds to hemoglobin, the second is a chemical messenger, and the third interrupts the respiratory electron transfer chain. Their biochemical action is a reflection of their orbital structure. Deduce their ground-state electron configurations using sigma and pi. (Draw MO). Show how you get electron configuration below using MO?