Bis(dichlorosilyl)methylamine – Synthesis,Crystal Structure,and Conformational Analysis in the Gas Phase |
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Authors: | Holger Fleischer,Donald C. McKean,Simon Parsons,Michael Bü hl |
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Abstract: | A straightforward preparation has been found for bis(dichlorosilyl)methylamine, (SiHCl2)2NMe ( 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 1H‐NMR‐spectroscopy. Some physical, NMR‐ and IR spectroscopical properties of 1 were determined. The molecular and crystal structure of 1 was investigated by single crystal 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)°. Ab initio force field data and infrared intensities 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. |
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Keywords: | Bis(dichlorosilyl)methylamine crystal structure infrared spectrum force field‐calculations |
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