Presentation is loading. Please wait.

Presentation is loading. Please wait.

Vibrational Energies and Full Analytic Potential Energy Functions from Pure MW Data  of PbI for v = 0 – 6 , and  of InI for v = 0-14.

Similar presentations


Presentation on theme: "Vibrational Energies and Full Analytic Potential Energy Functions from Pure MW Data  of PbI for v = 0 – 6 , and  of InI for v = 0-14."— Presentation transcript:

1 Vibrational Energies and Full Analytic Potential Energy Functions from Pure MW Data  of PbI for v = 0 – 6 , and  of InI for v = 0-14

2 Previous work on PbI (i):

3 Previous work on PbI (i):

4 Previous work on PbI (ii):

5 Previous work on PbI (ii):

6 Previous work on PbI (iii):

7 What are we trying to do?

8 What did we do ?

9 Just so you know,

10 1) e.g., experimental data & PGopher analysis for v = 6

11 2) To obtain “mechanical” information data from these band-by-band results, use conventional spectroscopic expression to generate sets of synthetic pure rotational transition energies

12 2) To obtain “mechanical” information data from these band-by-band results, use conventional spectroscopic expression to generate sets of synthetic pure rotational transition energies … and a standard regression analysis expression to estimate their uncertainties

13 This yields,

14 3) Perform a `Direct-Potential-Fit’ analysis:

15 3) Perform a `Direct-Potential-Fit’ analysis:

16 3) Perform a `Direct-Potential-Fit’ analysis:

17 3) Perform a `Direct-Potential-Fit’ analysis:

18 3) Perform a `Direct-Potential-Fit’ analysis:

19 3) Perform a `Direct-Potential-Fit’ analysis:

20 3) Perform a `Direct-Potential-Fit’ analysis:

21 3) Perform a `Direct-Potential-Fit’ analysis:

22 3) Perform a `Direct-Potential-Fit’ analysis:

23 Below are the plots of ω0 and dd vs. β0

24 “ A little disappointment ” .. ???

25 Results: the most accurate fit to this pure MW PbI data for v=0-6 with re , β1 and β2 free was obtained for β0 = 1.24, and the properties of the resulting potential energy function for levels v=0-11 are shown below:

26 Our EMO potential for PbI

27 uBv & uGv vs. v

28 Conclusion

29 InI: ω0 and dd vs. β0

30

31 Acknowledgement


Download ppt "Vibrational Energies and Full Analytic Potential Energy Functions from Pure MW Data  of PbI for v = 0 – 6 , and  of InI for v = 0-14."

Similar presentations


Ads by Google