An experimental and theoretical study of the molecular structure and vibrational spectra of iodotrimethylsilane (SiIMe3).
The gas-phase molecular structure of iodotrimethylsilane (ITMS) has been determined from electron diffraction data. Infrared and Raman spectra have been completely assigned. The experimental work is supported by ab initio HF and MP2 calculations for the gas-phase structure determination and DFT(B3LYP) calculations, combined with Pulay's SQM method, for the vibrational spectra data.
Departmento de Química Física y Analítica, Facultad de Ciencias Experimentales, Universidad de Jaén, Campus Universitario Las Lagunillas, Edif. B-3, 23071 Jaén, Spain.
Manuel
M
Montejo
Sarah L
SL
Hinchley
A Ben
AB
Altabef
Heather E
HE
Robertson
Francisco Partal
FP
Ureña
David W H
DW
Rankin
Juan J
JJ
López González
D003198:Computer Simulation; D008956:Models, Chemical; D015394:Molecular Structure; D013055:Spectrophotometry, Infrared; D014297:Trimethylsilyl Compounds / Q000737:chemistry*
D014297:Trimethylsilyl Compounds; C027752:iodotrimethylsilane