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Published byMaj Lindberg Modified over 6 years ago
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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
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Previous work on PbI (i):
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Previous work on PbI (i):
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Previous work on PbI (ii):
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Previous work on PbI (ii):
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Previous work on PbI (iii):
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What are we trying to do?
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What did we do ?
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Just so you know,
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1) e.g., experimental data & PGopher analysis for v = 6
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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
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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
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This yields,
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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3) Perform a `Direct-Potential-Fit’ analysis:
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Below are the plots of ω0 and dd vs. β0
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“ A little disappointment ” .. ???
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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:
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Our EMO potential for PbI
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uBv & uGv vs. v
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Conclusion
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InI: ω0 and dd vs. β0
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Acknowledgement
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