Exam 10: Molecular Interactions

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The Pauling electronegativities of chlorine and iodine are 3.0 and 2.5 respectively. Estimate the dipole moment of iodine monochloride, ICl.

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The dipole moment of hydrogen chloride, HCl, is 1.08 D and the bond length is 127 pm. Calculate the fractional charge on the hydrogen and chlorine atoms.

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C

The Lennard-Jones parameters for the interactions between benzene, C6H6, molecules are = 454 kJ mol-1 and r0 = 527 pm. Calculate the separation that corresponds to the minimum in the Lennard-Jones potential.

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A

The atomic coordinates and partial charges for the planar molecule fluoroethene, C2H3F, are x/A y/A z/A Partial charge -0.669 0.019 0.000 +0.353 0.669 -0.019 0.000 -0.367e 1.211 -0.978 0.000 +0.039 1.265 0.906 0.000 +0.041e -1.257 -0.913 0.000 0.008 -1.306 1.178 0.000 -0.075 Calculate the x and y components of the dipole moment.

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The dipole moment of nitrobenzene is 3.99 D. Estimate the magnitude of the dipole moment in meta (1,3-)dinitrobenzene.

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Calculate the magnitude of the potential energy for the interaction of two co-linear hydrogen fluoride, HF, molecules whose centres are separated by 5.0 Å. The dipole moment of a hydrogen fluoride molecules is 1.91 D.

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Estimate the potential energy resulting from the dispersion interaction between two xenon, Xe, atoms at a separation of 4.80 Å. The polarizability volume of a xenon atom is 4.16 Å3 and the ionization energy is 12.1 eV.

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The mean separation between chlorine, Cl2, molecules, at a temperature of 298.15 K and a pressure of 1 bar is 3.5 nm. Given the values of the Lennard-Jones parameters are = 368 kJ mol-1 and r = 412 pm, use the Lennard-Jones function to calculate the potential energy between pairs of xenon atoms at this separation.

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The dipole moment of an ozone molecule, O3, is 0.53 D. The molecule has a symmetrical bent structure so that, if the molecule is assumed to lie in the yz plane, the terminal atoms have coordinates (0.678 Å,0,-0.362 Å) and the central atom has coordinates (0,0,0.724 Å). The terminal atoms have a net negative partial charge and the central atom has a net positive partial charge. Determine the magnitude of the partial charges on each of the oxygen atoms.

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Determine the strength of the electric field necessary to induce a dipole moment of1.0 D in sulfur hexafluoride, SF6, which has been calculated to have a polarizability volume of 4.00 Å3.

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