Question 5: Consider an interatomic potential function of the form A B Er= ===+ роб р12 a) Find the equilibrium bond length, ro, as a function of A and B. b) Derive the bond energy as a function of A and B. c) You are given that ro= 0.1 nm and Erl=-5 eV. Calculate values for A and B (remember to keep track of your units).
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- p9C.1 Familiarity with the magnitudes of overlap integrals is useful when con- sidering bonding abilities of atoms, and hydrogenic orbitals give an indication of their values. (a) The overlap integral between two hydrogenic 2s orbitals is 1 ( ZR ZR +. 2а, " 12 а, 1 + ZR 240 a, -ZR/Z0 S(2s, 2s)={1+ Plot this expression. (b) For what internuclear distance is S(2s,2s) = 0.50? (c) The side-by-side overlap of two 2p orbitals of atoms of atomic number Z is ZR 1 ( ZR ZR S(2p,2p) ={1+ 10 a, 2a, 120 a. Plot this expression. (d) Evaluate S(2s,2p) at the internuclear distance you calculated in part (b).Determine the wavenumbers for the two lowest energy rotational excitations for trans- 3251°F4 H2 if the S-F bond distance is 1.74 Å and the S-H bond distance is 1.34 Å.The plot below shows bonding energy vs. interatomic separation for two elements. АВ %3D A. Which element would you expect to have a lower melting point? A same can't tell provide a brief justification of your choice. B. Which element would you expect to have a smaller lattice constant? A B same can't tell provide a brief justification of your choice. C. Which element would you expect to have a larger elastic modulus? A B same can't tell provide a brief justification of your choice. D. Which element would you expect to have the highest yield stress? A B same can't tell provide a brief justification of your choice. Bonding energy
- QUESTION 10 The lattice energy of CsCl is 633 kJ/mol, the Madelung constant, a, is 1.763, and the Born exponent, n, is 10.7. The ionic radius of Cl- is known to be 1.81 A, e = 1.6 X 10-19 C and NA = 6.02 X 1023 atom/mol. The estimate ionic radius of Cst is: A. 1.69 Å B. 1.81 A C. 3.5 nm D. 3.5 ÅSuppose the distance between the two atoms is equal to the equilibrium distance found in part A. What minimum energy must be added to the molecule to dissociate it-that is, to separate the two atoms to an infinite distance apart? This is called the dissociation energy of the molecule. For the molecule CO, the equilibrium distance between the carbon and oxygen atoms is 1.13×10−10m and the dissociation energy is 1.54×10−18J per molecule. Find the value of the constant a. Find the value of the constant b..