71 st International Symposium on Molecular Spectroscopy

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Presentation transcript:

71 st International Symposium on Molecular Spectroscopy Study of K- dependent reaction rates of the Cl+ propyne reaction using chirped pulse uniform flow spectroscopy Looked at reaction rates vary with different rotation, vibrations of molecules Nuwandi M. Ariyasingha University of Missouri

71 st International Symposium on Molecular Spectroscopy Rotational mode specificity in reactions a lively field The electrophillic addition reaction is fast and barrierless Cl + CH3CCH X1A1 (J=3, K) CH3CClCH 20 K Emthane isto… early / late brrr barrierless Farrell, John T., and Craig A. Taatjes. "Infrared frequency-modulation probing of Cl+ C3H4 (allene, propyne) reactions: kinetics of HCl production from 292 to 850 K." The Journal of Physical Chemistry A 102.25 (1998): 4846-4856.

71 st International Symposium on Molecular Spectroscopy CH3CCH Prolate symmetric top (Ia < Ib = Ic) A good probe for kinetic temperature measurements Closely spaced rotational lines – belong to states with different K values – energy varying with K Barrierless reaction, specifically the electrophilic addition of Cl atoms to propyne.

Study of the reaction decay rates using CPUF 71 st International Symposium on Molecular Spectroscopy Study of the reaction decay rates using CPUF Chirped Pulsed FTMW Pulsed Uniform Supersonic Flow system

71 st International Symposium on Molecular Spectroscopy K-dependence of electrophilic addition kinetics at low temperature Preliminary Results Cl + CH3CCH (J = 3, K) CH3CCH (4-3) Propyne decay rate with K components for given J value. Frequency (GHz)

71 st International Symposium on Molecular Spectroscopy K-dependence of chemical reaction rates Cl + CH3CCH (J=3, K=1) Time (µs) CH3CCH (4-3) Frequency (GHz)

71 st International Symposium on Molecular Spectroscopy K-dependence of chemical reaction rates E (cm-1) 1 2 3 4 5 6 7 K=0 K=1 K=2 4 K=0 3.42 cm-1 8.43 cm-1 23.44 cm-1 48.46 cm-1 k=3.5(9) k=5.5(1.3) k=2.5(5) k=1.7(7) 3 20 K 15 cm-1 Signal (arb) K=1 2 K=2 1 K=3 Time (μs)

How does rotation affect reactivity? 71 st International Symposium on Molecular Spectroscopy How does rotation affect reactivity?

Future studies 71 st International Symposium on Molecular Spectroscopy Reaction kinetics Bimolecular chemistry Photochemistry

Acknowledgement Prof. Arthur Suits (MIZZOU) Dr. James O. P. Thompson Dr. Bernadette Brodreick Suits Group Members DOE & NSF

Thank You

71 st International Symposium on Molecular Spectroscopy Mixing levels !!! C3V different symmetry in the nuclei do not combine with one another A <#> E : including collisions