Ta. Claxton, MUON-NUCLEAR QUADRUPOLAR LEVEL-CROSSING RESONANCE IN SOLID NITROGEN -EVIDENCE FOR [N(2)MUN(2)](-FORMATION() COMPLEX), Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 72(2), 1995, pp. 251-257
The recent interpretation that the mu(+) SR signal in crystalline nitr
ogen at 37 K arises from N(2)Mu(+) (also written as N-2 mu(+)) is exam
ined in the light of ab initio calculations using Hartree-Fock, second
-order Moller-Plesset, quadratic configuration interaction and density
functional methods. It is concluded that the intrinsic nitrogen quadr
upole interaction (2.26 MHz) is too large by more than a factor of two
to be assigned to the species N(2)Mu(+). Calculations are extended to
the linear complex [N(2)MuN(2)](+), which is shown to be more stable
and gives a quadrupole interaction closer to the experimental value.