Question

7. π electron is an electron which resides in the pi bond(s) of a double bond or a triple bond, or in a conjugated p orbital. The 1,3,5-hexatriene molecule is a conjugated molecule with 6 t electrons. Consider the Tt electrons free to move back and forth along the molecule through the delocalized pi system. Using the particle in a box approximation, treat the carbon chain as a linear one-dimensional "box". Allow each energy level in the box to hold 2 electrons Treating 1,3,5-hexatriene as a linear chain, we would have the structure. The π electrons are free to move through the conjugated system; hence, the length of the molecule would represent the "box." We can add up the lengths of the single and double bonds in the molecule to give the width of the box, L. For 1,3,5-hexatriene, this gives where r represents the bond length. The energy of the n electrons in the molecule would be represented as En1,2,3,... 8mL2 where L is the box width defined above and m is the electron mass. a.) Calculate the energy of the highest filled level, using 1.54 A as the carbon-carbon single bond length, and 1.35 Å as the carbon-carbon double bond length. b.) Determine the energy of the lowest unfilled level. c.) Calculate the wavelength for an electronic transition from the highest filled level to the lowest unfilled level, using your answers from parts a) and b). Compare your result to the experimental ultraviolet absorption maximum of 268 nm

Answer 1

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L = 3x135 t 2x1.54 LUMO highytfilled 68 丁 -68 168 43.9x10 2. 5676Xlo -34 enpeu maol