High-Resolution Infrared Spectrum of D3Si79Br in the ν1/ν4Region: The Structure of Silyl Bromide

✍ Scribed by J. Demaison; J. Cosléou; H. Bürger; E.B. Mkadmi

• Publisher: Elsevier Science
• Year: 1997
• Tongue: English
• Weight: 238 KB
• Volume: 185
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1997.7410

✦ Synopsis

Dedicated to Professor Achim Mu ¨ller on the occasion of his 60th birthday FTIR spectra of monoisotopic D 3 Si 79 Br covering the bands n 1 (a 1 , 1580.637 cm 01 ) and n 4 (e, 1615.085 cm 01 ) have been recorded with a resolution of 3 1 10 03 cm 01 . The rovibrational analysis revealed severe perturbations of the 05 £ KDK £ 4 series of n 4 while n 1 and the high-K subbands of n 4 are almost unperturbed and served to determine the parameters of the £ 1 Å 1 and £ 4 Å 1 states, with s(Fit) ca. 5 1 10 04 cm 01 . Equilibrium rotational constants of H 3 Si 79 Br and D 3 Si 79 Br were deduced with the help of the vibrational corrections a i . The r 0 , r s , r r m , and r e 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 r e structure is r e (Si-H) Å 1.470(2) A ˚, r e (Si-Br) Å 2.207(1) A ˚, and a e (HSiH) Å 110.5(2)Њ.