Kinetic isotope effects for the reactions of muonic helium and muonium with H2

Donald G. Fleming, Donald J. Arseneau, Oleksandr Sukhorukov, Jess H. Brewer, Steven L. Mielke, George C Schatz, Bruce C. Garrett, Kirk A. Peterson, Donald G. Truhlar

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Abstract

The neutral muonic helium atom may be regarded as the heaviest isotope of the hydrogen atom, with a mass of ∼4.1 atomic mass units (4.1H), because the negative muon almost perfectly screens one proton charge. We report the reaction rate of 4.1H with 1H2 to produce 4.1H1H + 1H at 295 to 500 kelvin. The experimental rate constants are compared with the predictions of accurate quantum-mechanical dynamics calculations carried out on an accurate Born-Huang potential energy surface and with previously measured rate constants of 0.11H (where 0.11H is shorthand for muonium). Kinetic isotope effects can be compared for the unprecedentedly large mass ratio of 36. The agreement with accurate quantum dynamics is quantitative at 500 kelvin, and variational transition-state theory is used to interpret the extremely low (large inverse) kinetic isotope effects in the 10-4 to 10 -2 range.

Original languageEnglish
Pages (from-to)448-450
Number of pages3
JournalScience
Volume331
Issue number6016
DOIs
Publication statusPublished - Jan 28 2011

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Helium
Isotopes
Shorthand
Mesons
Protons
Hydrogen

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  • General

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Fleming, D. G., Arseneau, D. J., Sukhorukov, O., Brewer, J. H., Mielke, S. L., Schatz, G. C., ... Truhlar, D. G. (2011). Kinetic isotope effects for the reactions of muonic helium and muonium with H2. Science, 331(6016), 448-450. https://doi.org/10.1126/science.1199421

Kinetic isotope effects for the reactions of muonic helium and muonium with H2. / Fleming, Donald G.; Arseneau, Donald J.; Sukhorukov, Oleksandr; Brewer, Jess H.; Mielke, Steven L.; Schatz, George C; Garrett, Bruce C.; Peterson, Kirk A.; Truhlar, Donald G.

In: Science, Vol. 331, No. 6016, 28.01.2011, p. 448-450.

Research output: Contribution to journalArticle

Fleming, DG, Arseneau, DJ, Sukhorukov, O, Brewer, JH, Mielke, SL, Schatz, GC, Garrett, BC, Peterson, KA & Truhlar, DG 2011, 'Kinetic isotope effects for the reactions of muonic helium and muonium with H2', Science, vol. 331, no. 6016, pp. 448-450. https://doi.org/10.1126/science.1199421
Fleming DG, Arseneau DJ, Sukhorukov O, Brewer JH, Mielke SL, Schatz GC et al. Kinetic isotope effects for the reactions of muonic helium and muonium with H2. Science. 2011 Jan 28;331(6016):448-450. https://doi.org/10.1126/science.1199421
Fleming, Donald G. ; Arseneau, Donald J. ; Sukhorukov, Oleksandr ; Brewer, Jess H. ; Mielke, Steven L. ; Schatz, George C ; Garrett, Bruce C. ; Peterson, Kirk A. ; Truhlar, Donald G. / Kinetic isotope effects for the reactions of muonic helium and muonium with H2. In: Science. 2011 ; Vol. 331, No. 6016. pp. 448-450.
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