LASER VAPORIZATION GENERATION OF THE SIB AND SIAL RADICALS FOR MATRIX-ISOLATION ELECTRON-SPIN-RESONANCE STUDIES - COMPARISON WITH THEORETICAL CALCULATIONS AND ASSIGNMENT OF THEIR ELECTRONIC GROUND-STATES AS X (4)SIGMA
Lb. Knight et al., LASER VAPORIZATION GENERATION OF THE SIB AND SIAL RADICALS FOR MATRIX-ISOLATION ELECTRON-SPIN-RESONANCE STUDIES - COMPARISON WITH THEORETICAL CALCULATIONS AND ASSIGNMENT OF THEIR ELECTRONIC GROUND-STATES AS X (4)SIGMA, The Journal of chemical physics, 98(9), 1993, pp. 6749-6757
The first experimental spectroscopic study of the SiB and SiAl diatomi
c radicals is reported. Electron spin resonance results indicate that
both molecules have X4SIGMA ground electronic states, in agreement wit
h earlier theoretical calculations. The SiB and SiAl radicals were gen
erated in neon matrices at 4 K by trapping the products produced from
the pulsed laser vaporization of their alloys. Electronic structure in
formation for these radicals is especially interesting given the utili
zation of silicon doped materials in semiconductor applications. The o
bserved nuclear hyperfine interactions (A tensors) for B-10, B-11, and
Al-27 in these molecular radicals were compared with the results of a
b initio configuration-interaction theoretical calculations which were
conducted as part of this experimental study. The neon matrix magneti
c parameters (MHz) for (SiB)-B-11 are D = 800 (2), g (parallel-to) = 2
.0014 (8), g(perpendicular-to) = 2.0005 (4), A(perpendicular-to) = 92.
4 (5), and A(parallel-to) = 111(2). For (SiAl)-Al-27 the results (MHz)
are D = 9 7 10 (2), g(parallel-to) = 1.9994(8), and g(perpendicular-t
o) = 1.997 8(4), \A(perpendicular-to)\ = 10.3(6), and \A(parallel-to)\
= 43.5 (8).