A. Ceausu et al., A NEW ROVIBRATIONAL ANALYSIS OF THE NU(2), NU(5) AND 2NU(3) BANDS OF MONOISOTOPIC (H3SIBR)-BR-79, Journal of molecular spectroscopy, 174(1), 1995, pp. 237-252
Citations number
19
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
A high-resolution FT infrared spectrum of (H3SiBr)-Br-79 (resolution 0
.0022 cm(-1)) in the region 830-1050 cm(-1) was used to analyze the fu
ndamental bands nu(2) (A(1)) and upsilon(s) (E). A total of 4392 trans
ition wavenumbers for nu(2) and nu(5) have been fitted, together with
632 energy values for the nu(3) = 2 level, with a standard deviation o
f the fit of 0.123 x 10(-3) cm(-1). A model was used taking into accou
nt the strong Coriolis x, y resonance between nu(2) and nu(5). and als
o three local resonances: (i) an accidental Coriolis-type resonance of
nu(5) with 2 nu 3 (crossing of (kl = -13, nu(5) = 1) and (K = 14, nu(
3) = 2) for J' between 16 and 17); (ii) an l(+/- 2, +/- 1) resonance o
f the (kl = 2, nu(5) = 1) and (kl = -3, nu(5) = 1) levels, with a cros
sing for J' between 58 and 59; and (iii) an accidental l(+/- 1, +/- 2)
resonance between nu(2) (K = 3) and nu(5) (kl = 1, A(+) and A(-)). So
me ''forbidden'' transitions, due to this last resonance, were observe
d and included in the fit. The I-doubling constant q(5) and the Coriol
is resonance parameters being strongly correlated, these two resonance
s cannot be treated independently. Hence, q(5) was fixed at zero and a
value of 0.09314238(58) cm(-1) was obtained for B zeta(25). (C) 1995
Academic Press, Inc.