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Bis(dichlorosilyl)methylamine – Synthesis, Crystal Structure, and Conformational Analysis in the Gas Phase
Author(s) -
Fleischer Holger,
McKean Donald C.,
Parsons Simon,
Bühl Michael
Publication year - 1999
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/(sici)1521-3749(199902)625:2<313::aid-zaac313>3.0.co;2-q
Subject(s) - methylamine , chemistry , conformational isomerism , crystal structure , crystallography , ab initio , infrared spectroscopy , single crystal , pentane , ab initio quantum chemistry methods , molecule , organic chemistry
A straightforward preparation has been found for bis(dichlorosilyl)methylamine, (SiHCl 2 ) 2 NMe ( 1 ), involving reaction between H 2 NMe and an excess of SiHCl 3 , 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 1 H‐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.