9. i. What is the Born-Oppenheimer Approximation? ii. Label the equilibrium bond distance in this potential energy curve of a diatomic molecule: 150 accelerate nove x de Brogite wavelength of 4.0 cod 0 r/nm
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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.)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.Sketch how the overlap between a 1s orbital and a 2p orbital directed towards it can be expected to depend on their separation.The overlap integral between an H1s orbital and an H2p orbital directed towards it on nuclei separated by a distance R is S=(R/a0)1+(R/a0)+13(R/a0)2e-R/ao. Plot this function, and find the separation for which the overlap is a maximum.
- 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. () II1. Calculate the moment of inertia, I, of the molecule 'H35CI when the masses of the two atoms are mu = 1.673 x 1027 kg and mci = 5.807 x 1026 kg. The equilibrium bond length of the molecule is 1.275 Aa.) Write down for yourself the secular determinant for the hypothetical molecule linear H3 making the Huckel approximation, using the 1s atomic orbitals from each atom as the basis set. Given that α=-2.00 eV and β= -3 eV, what is the total electronic energy in eV? b.) Write down the secular determinant for the hypothetical molecule cyclic H3 making the Huckel approximation, using the 1s atomic orbitals from each atom as the basis set. Given that α=-2.00 eV and β= -2 eV, what is the total electronic energy in eV?
- Chemistry Let ωCH be the angular frequency of the C-H bond stretching vibration observed in theIR spectrum of an organic molecule. (Note that angular frequency ω = 2πν). EstimateωC2H, the bond stretching frequency when 1H is substituted by 2H in the molecule.(Express ωC2H in terms of ωCH).Construct the wavefunction of the π MO from the 2pz atomic orbitals perpendicular to the plane of the C atoms. How many π MO result from the available 2pz A.O.?The potential energy vs bond distance of a diatomic molecule AB is given, if a= 6225x10-20 J, and the classical frequency of vibration is 2553.18 cm³¹, what is the experimental dissociation energy (in J)? Potential energy at. VO a. 5.1e-20 b. 7.6e-20 c. 2.5e-20 d. 6.2e-17 e. 1.0e-19 distance A+B
- Which of these molecular electron configurations describe an excited state? (01s)² (015*)² (02s)¹ (02s*)¹ (015)² (01s*)² (02)² (0₂s*) ² (π2₂) ¹ (π2p *) ¹ (01s)² (01s*)² (2p)¹ (015)²(015*)² (025)² (0₂s*)² (₂p) 4 (0₂)² IncorrectA). A molecule can have various types of energies (translational, rotational, vibrational, and electronic), the sum of which is the molecule's total energy. ?trans=(?^2?+?^2?+?^2?)(ℎ^2/8??^2/3) ?rot=?(?+1)ℎ^2/8?2? ?vib=(?+1/2)(ℎ?) In the equations, ??, ??, ??, ?, and ? are quantum numbers, ℎ is Planck's constant, ? is the mass of the molecule, ? is the volume of the container, ? is the moment of inertia of the molecule, and ? is the fundamental vibration frequency. For carbon monoxide, CO , the moment of inertia is ?=1.45×10−46 kg⋅m2, and the fundamental vibration frequency is ?=2130 cm−1. Let ?=12.8, and let all the quantum numbers be equal to 11 . Calculate the translational, rotational, and vibrational energies per mole of CO for these conditions. ?trans= J/mol ?rot= J/mol ?vib= J/mol B). If the electronic energy of CO is 9.14 eV per molecule, calculate the total energy of CO per mole. ?total= J/mol C). Which types of energy are…P18.5 ¹H¹F has a force constant of 966 N m¹ and a bond length of 91.68 pm. Calculate the frequency of the