(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)
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- N2 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 π 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.
- 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 much(a) Write down the Hamiltonian for Hez* in fundamental (atomic) units. State any approximations that you employ.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.
- 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.Using this figure, find the most likely range of values for thelattice energy of KF.2. Consider a helium atom. (a) Sketch the system and write the Hamiltonian. Denote the term(s) in the operator that make(s) the Schrödinger equation unsolvable. (b) Given an excited-state configuration 1s 2s', express all possible excited-state wavefunctions in terms of spatial and spin functions for the two electrons. For each, denote the symmetry of the overall wavefunction, the spatial component, and the spin component with respect to exchange.
- Sketch the shape and orientation of the following types oforbitals: (a) s, (b) pz, (c) dxy.The vibrations of a CO2 molecule are symmetrical stretch, bend, and asymmetrical stretch (Figure ), with frequencies of 4.02x1013 s-1, 2.00x1013 s-1, and 7.05x1013 s-1, respectively. (a) What wavelengths correspond to these vibrations? (b) Calculate the energy (in J) of each vibration. Which uses the least energy?(ii) What are the two parts of a wavefunction? (iii) What is the importance of squaring a wavefunction? (iv) Where is a wavefunction obtained from? QUESTION 4 Draw the best Lewis structures for the substances below. Show your thinking and method. (a) (b) Oxalic acid, H2C2O4 Bromate ion, BrO3- XEOF2 CH3CN QUESTION 5 Methanol (CH3OH) is a liquid at room temperature with a density of 7.91 ×102 kg/m³. In a certain experiment, from the reaction of 2.91 mL of methanol with 2.88 g of oxygen, 2.27 g of carbon dioxide was obtained. (a) (b) What type(s) of chemical reaction is (are) occurring in this experiment? What equipment do you think was used to measure the volume of methanol in this experiment? Calculate the percent yield of the carbon dioxide in this experiment. (c) 5