High-Resolution Infrared Spectrum of D3Si79Br in the nu1/nu4 Region: The Structure of Silyl Bromide
FTIR spectra of monoisotopic D3Si79Br covering the bands nu1 (a1, 1580.637 cm-1) and nu4 (e, 1615.085 cm-1) have been recorded with a resolution of 3 x 10(-3) cm-1. The rovibrational analysis revealed severe perturbations of the -5 </= KDeltaK </= 4 series of nu4 while nu1 and the high-K subbands of nu4 are almost unperturbed and served to determine the parameters of the v1 = 1 and v4 = 1 states, with sigma(Fit) ca. 5 x 10(-4) cm-1. Equilibrium rotational constants of H3Si79Br and D3Si79Br were deduced with the help of the vibrational corrections alphai. The r0, rs, rmrho, and re structures of silyl bromide have been determined. The experimental values of the HSiH angle and of the Si-H distance are found in excellent agreement with their ab initio predictions. The re structure is re(Si-H) = 1.470(2) A, re(Si-Br) = 2.207(1) A, and alphae(HSiH) = 110.5(2)degrees. Copyright 1997 Academic Press. Copyright 1997Academic Press
Demaison
J
Laboratoire de Spectroscopie Hertzienne, URA CNRS 249, UFR de Physique, Batiment P5, Universite de Lille 1, Villeneuve d'Ascq Cedex, F-59655, France
Cosleou
J
Burger
H
Mkadmi
EB