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- The photoelectron spectrum of HBr has two main groups of peaks. The first has ionization energy 11.88 eV. The next peak has ionization energy 15.2 eV, and it is followed by a long progression of peaks with higher ionization energies. Identify the molecular orbitals corresponding to these two groups of peaks.The B2 molecule is paramagnetic; show how this indicates that the energy ordering of the orbitals in this molecule is given by Figure 6.18a rather than 6.18b.4G I 5:53 2.30 O Yo 40 52% KB/s 1. The C-C stretch in allene (H,C-C=CH,) is about 1650 cm'; the C-H stretch is about 3,100 cm". Calculate the corresponding wavelengths (in nm) and energies (in kJ/mol) of these vibrations. () II
- D10) Evaluate the energy for the two MOs generated by combining two H1s MOs. Use the equation (equation 9D.9b) and carry out the calculation for the following S values to mimic the effect of decreasing the atomic separation in the molecule. Use the parameters αA = αB = −13.7 eV and β = . Explain the trend you see in the results. 1. S = 0.33, 0.66, 0.99 2.) S = 0.28, 0.56, 0.84Write the va lence bond wavefunction of a P2 molecule. Why is P4 a stable form of molecular phosphorus?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
- 8) Consider the heteronuclear diatomic molecule, HCl with bonding orbital given by, citation legg W, = 0.205,H +0.98º3p,cI %D ght ventric FULL PRIC where ø is the (normalized) hydrogen 1s orbital and o,, c is the (normalized) chlorine BOG 3pz orbital. Assume that the atomic overlap integral is zero, | WisH W3p.cadt = 0. %3D all space a) Show that the bonding molecular orbital is normalized. Shot 232 PM BOO and B, b) What is the energy of the bonding orbital? Write your answer in terms of a,, ,a,,. T COS which are defined by: АМ Shbt 25PM ght ventric | V1s,H Hw cdt = | 4 1s,H RENT & || all space all space Che pulmc vein | Wis.H HySHdt =a,, and cdt = d3p. 1s, 3 Pz,CI right atriursen Shot 2021-02 5.56 PM pulmonary valve all space all space W étv A APR 4 29 260 Book A DD F11 F109A.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.
- What is the term symbol of free Fe2+ in the ground state? When oxygen binds , what change should be made to the bond lenght and angle for Fe--N?5. The ground state of NO2 is A1. To what excited states may it be excited by electric dipole transitions, and what polarizations of light is it necessary to use to get the transition.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?