Question: 2e. (9 points) As discussed in class, we can fix this issue by modifying the Hckel model to include alternating- values. Here we will explore
2e. (9 points) As discussed in class, we can fix this issue by modifying the Hckel model to include alternating- values. Here we will explore how implementing such a model changes the results seen above. A Matlab script is provided ("carotene alternating beta m ") that sets up a problem where the value of is increased by 20% for carbon-carbon double bonds and decreased by 20% for carbon-carbon single bonds. Execute this script and plot the energy eigenvalues using the same approach as in part and insert the plot into your assignment. As in parts b and c, find and report the wavelength of the lowest energy optical absorption. Has the agreement between experiment and the model been improved in this revised model? Explain your answer. 2f. ( 9 points) Carry out a calculation similar to the one in part d to look at the bond order coefficient Oalues for the alternating- model. Your commands should be: carotene_alternating beta occupy =[2 ones (1,11) zeros (1,11)]; [ bondorder,bondvecter] = bond (V, occupy, 0); > plot(bondvector) Insert the plot into your assignment. Compare the results to the bond order results shown in part d, which were obtained for a single value of . Which calculation shows greater alternation of bond order values? Explain why these two models, one with a single value of and one with alternating values of , produce different amounts of bond-order alternation. 2e. (9 points) As discussed in class, we can fix this issue by modifying the Hckel model to include alternating- values. Here we will explore how implementing such a model changes the results seen above. A Matlab script is provided ("carotene alternating beta m ") that sets up a problem where the value of is increased by 20% for carbon-carbon double bonds and decreased by 20% for carbon-carbon single bonds. Execute this script and plot the energy eigenvalues using the same approach as in part and insert the plot into your assignment. As in parts b and c, find and report the wavelength of the lowest energy optical absorption. Has the agreement between experiment and the model been improved in this revised model? Explain your answer. 2f. ( 9 points) Carry out a calculation similar to the one in part d to look at the bond order coefficient Oalues for the alternating- model. Your commands should be: carotene_alternating beta occupy =[2 ones (1,11) zeros (1,11)]; [ bondorder,bondvecter] = bond (V, occupy, 0); > plot(bondvector) Insert the plot into your assignment. Compare the results to the bond order results shown in part d, which were obtained for a single value of . Which calculation shows greater alternation of bond order values? Explain why these two models, one with a single value of and one with alternating values of , produce different amounts of bond-order alternation
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