Questions 3.1 Briefly describe your plot (or copy it onto your report, or sketch it). 3.2 What does each coefficient represent in each polynomial fit? 3.3 In comparing the energy of the 0-0 transition for the linear regression and each polynomial fit, which va do you trust? Why? 3.4 What happens to the polynomial fits if you extend the range beyond 80? (Define x:-0,1...100 above the graph to test it.) Is this physically possible? What is really happening at this point in the spectrum? Tasks C. Analyze the 2nd-order and 3rd-order polynomial equations to determine the local maximum. (How do we find a maximum in a curve mathematically?) a Assuming we have sufficient data for a good polynomial analysis, we could use the difference between the 0-0 transition and the energy for dissociation to determine the bond energy (Do) for the excited state. If we have values for nu-e and anharmonicity constant(s), we can also find the dissociation energy (De') for the excited state by adding the difference in energy between the v=0 and the bottom of the potential curve. Tasks D. Calculate values for Do' and De' using the second-order polwomial fit cm +1 034.6 147.5 146 2 38.9 347.6 245 443.2 3144 5 51.9 4 43 6 47.5 542 Anu = nu -- nu 751.9 v_plus_one = v'. 641 856.2 740 956.2 839 10 60.5 938 1037 11 60.5 12 64.8 11 36 28 28 12:=intercept(u', nu) Tasks m2-slope (v', nu) linear(x):=m2.x+62 A Analyze the Birgs-Sponer data using a linear regression. Obtain values for the slope and intercept Define m2 slope(X,Y)? and 62 intercept(X,Y)? Define an equation, Birgs. Sponsrix) m2*x + b2. Solve for the x-intercept B. Plot Anuvs. v plus one(symbols, no line) 0,1..60 Add a Trace for the linear regression on your plot (line, no symbols) Anu mn 1 2 3 4 vlere Questions 3.1 Briefly describe your plot (or copy it onto your report, or sketch it). 3.2 What does each coefficient represent in each polynomial fit? 3.3 In comparing the energy of the 0-0 transition for the linear regression and each polynomial fit, which va do you trust? Why? 3.4 What happens to the polynomial fits if you extend the range beyond 80? (Define x:-0,1...100 above the graph to test it.) Is this physically possible? What is really happening at this point in the spectrum? Tasks C. Analyze the 2nd-order and 3rd-order polynomial equations to determine the local maximum. (How do we find a maximum in a curve mathematically?) a Assuming we have sufficient data for a good polynomial analysis, we could use the difference between the 0-0 transition and the energy for dissociation to determine the bond energy (Do) for the excited state. If we have values for nu-e and anharmonicity constant(s), we can also find the dissociation energy (De') for the excited state by adding the difference in energy between the v=0 and the bottom of the potential curve. Tasks D. Calculate values for Do' and De' using the second-order polwomial fit cm +1 034.6 147.5 146 2 38.9 347.6 245 443.2 3144 5 51.9 4 43 6 47.5 542 Anu = nu -- nu 751.9 v_plus_one = v'. 641 856.2 740 956.2 839 10 60.5 938 1037 11 60.5 12 64.8 11 36 28 28 12:=intercept(u', nu) Tasks m2-slope (v', nu) linear(x):=m2.x+62 A Analyze the Birgs-Sponer data using a linear regression. Obtain values for the slope and intercept Define m2 slope(X,Y)? and 62 intercept(X,Y)? Define an equation, Birgs. Sponsrix) m2*x + b2. Solve for the x-intercept B. Plot Anuvs. v plus one(symbols, no line) 0,1..60 Add a Trace for the linear regression on your plot (line, no symbols) Anu mn 1 2 3 4 vlere