Bis(dichlorosilyl)methylamine - Synthesis, crystal structure, and conformational analysis in the gas phase

A straightforward preparation has been found for bis(dichlorosilyl)methylam ine, (SiHCl2)(2)NMe (1), involving reaction between H2NMe and an excess of SiHCl3, dissolved either in pentane or THF at 253 K. 1 and a side-product, 1,3,5-trichloro-2,4,6-trimethylcyclotrisilazane, (-SiHCl-NMe-)(3) (2), were identified by elemental analysis, mass spectrometry and H-1-NMR-spectrosco py. Some physical, NMR- and IR spectroscopical properties of 1 were determi ned. The molecular and crystal structure of 1 was investigated by single cr ystal X-ray diffraction. Selected structural parameters: r(Si-N) 169.7(5), r(Si-Cl) 203.1(2)-204.4(2), r(C-N) 150.0(8) pm; a(SiNSi) 123.6(3), a(SiNC) 118.3(4)/118.0(4)degrees. Ab initio force field data and infrared intensiti es were calculated for four conformers of 1. Comparison of the observed and calculated IR spectra favours the two structures found ab initio provided that their actual abundancies are different from those calculated.