TY - JOUR
T1 - The muonic He atom and a preliminary study of the 4He μ + H2 reaction
AU - Arseneau, Donald J.
AU - Fleming, Donald G.
AU - Sukhorukov, Oleksandr
AU - Brewer, Jess H.
AU - Garrett, Bruce C.
AU - Truhlar, Donald G.
PY - 2009/4/15
Y1 - 2009/4/15
N2 - The muonic atom 4He μ has the composition α++ μ- e-, and is formed by stopping negative muons in He doped with a small amount of NH3 (or Xe). It may be regarded as a unique heavy H-atom isotope with a mass of 4.1 amu. As such, the study of its chemical reaction rates and comparison with those of the well-known light Mu atom (0.113 amu) allows unprecedented tests of kinetic isotope effects over a range of 36 in mass. As a first example, and one which is of most fundamental interest, we have begun kinetics studies of the He μ + H2 → He μ H + H reaction in the gas phase. The first measurements, at 295 K, give a rate constant of kHe μ = 4.1 ± 0.7 × 10- 16 cm3 molec- 1 s- 1. In comparison, variational transition state calculations give a value of 2.46 × 10- 16 cm3 molec- 1 s- 1, somewhat below the measurement, despite the large error bar, raising the possibility that the calculations, on an essentially exact potential energy surface, have underestimated the amount of quantum tunneling involved, even for this heavy H-atom isotope.
AB - The muonic atom 4He μ has the composition α++ μ- e-, and is formed by stopping negative muons in He doped with a small amount of NH3 (or Xe). It may be regarded as a unique heavy H-atom isotope with a mass of 4.1 amu. As such, the study of its chemical reaction rates and comparison with those of the well-known light Mu atom (0.113 amu) allows unprecedented tests of kinetic isotope effects over a range of 36 in mass. As a first example, and one which is of most fundamental interest, we have begun kinetics studies of the He μ + H2 → He μ H + H reaction in the gas phase. The first measurements, at 295 K, give a rate constant of kHe μ = 4.1 ± 0.7 × 10- 16 cm3 molec- 1 s- 1. In comparison, variational transition state calculations give a value of 2.46 × 10- 16 cm3 molec- 1 s- 1, somewhat below the measurement, despite the large error bar, raising the possibility that the calculations, on an essentially exact potential energy surface, have underestimated the amount of quantum tunneling involved, even for this heavy H-atom isotope.
KW - He μ atom
KW - Heavy H-atom
KW - Hydrogen
KW - Kinetic isotope effects
KW - Reaction rate
KW - Variational TST
UR - https://www.scopus.com/pages/publications/62949163757
UR - https://www.scopus.com/pages/publications/62949163757#tab=citedBy
U2 - 10.1016/j.physb.2008.11.130
DO - 10.1016/j.physb.2008.11.130
M3 - Article
AN - SCOPUS:62949163757
SN - 0921-4526
VL - 404
SP - 946
EP - 949
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
IS - 5-7
ER -