1. Calculate the moment of inertia, I, of the molecule 'H35CI when the masses of the two atoms are mH = 1.673 x 1027 kg and mci = 5.807 x 1026 kg. The equilibrium bond length of the molecule is 1.275 A
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- The MO of the ground state of a heteronuclear diatomicmoleculeAB is mol=CAA+CBB If a bonding electron spends 90% of its time in an orbital A on atom A and 10% of its time in B on atom B, what are the values of CA and CB ? (Neglect the overlap of the two orbitals.)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.A heteronuclear diatomic molecule has a bond length of 2.100 Angstrom, and a dipole moment of 1.050 D. Calculate the effective charge on the less electronegative atom in units of the electronic charge, e.
- The bond length of the transient diatomic molecule CF is 1.291 Å; that of the molecular ion CF+ is 1.173 Å. Explain why the CF bond shortens with the loss of an electron. Refer to the proper MO correlation diagram.A normalized valence bond wavefunction turned out to have the form ψ = 0.8891ψcon + 0.458ψion. What is the chance that. in 1000 inspections of the molecule, both electrons of the bond will be found on one atom?Q. Discuss the bonding between two hydrogen atoms on the basis of Heitler & London theory, discuss drawbacks of VBT.
- In a photoelectron spectrum using 21.21 eV photons, electrons were ejected with kinetic energies of 11.01 eV, 8.23 eV and 15.22 eV. Sketch the molecular orbital energy level diagram for the species, showing the ionization energies of the three identifiable orbitals.Deduce the symmetry of the vibrational modes of the molecule XeCl4. It would be possible identify the geometry of this compound (planar square or tetrahedral) using the vibrational spectroscopy technique? Explain using the concept of group theory.In CF3Cl the C—Cl bond-di s sociat ion energy i s339 kJ>mol. In CCl4 the C—Cl bond-dissociation energyis 293 kJ/mol. What is the range of wavelengths of photonsthat can cause C—Cl bond rupture in one molecule butnot in the other?
- The photoelectron spectrum of HBr has two main groupsof peaks. The first has ionization energy 11.88 eV. Thenext peak has ionization energy 15.2 eV, and it is followedby a long progression of peaks with higher ionizationenergies. Identify the molecular orbitals corresponding tothese two groups of peaks.Write the valence bond wavefunction for the one cr andtwo n bonds in a nitrogen molecule, N2 .Electronic excitation of a molecule may weaken or strengthen some bonds because bonding and antibonding characteristics differ between the HOMO and the LUMO. For example, a carbon–carbon bond in a linear polyene may have bonding character in the HOMO and antibonding character in the LUMO. Therefore, promotion of an electron from the HOMO to the LUMO weakens this carbon–carbon bond in the excited electronic state, relative to the ground electronic state. Consult Figs. 9E.2 and 9E.4 and discuss in detail any changes in bond order that accompany the π*←π ultraviolet absorptions in butadiene and benzene.