THE MOLECULAR STRUCTURE OF TRIMETHYLSILYLISOCYANATE IN THE GAS PHASE REDETERMINED BY ELECTRON DIFRACTION

Article abstract of DOI:10.1016/0022-2860(85)80015-6

We have redetermined the molecular structure of trimethylsilylisocyanate in the gas phase by electron diffraction.An r_a structure is defined with bond distances (pm) SiN 174.0(4), SiC 186.4(2), N=C 120.2(16), C=O 117.6(10) and CH 109.9(5), bond angles (degrees) HCSi 109.0(9), CSiC 108.8(25), SiNC 156.9(30) and NCO 165.8(36), with the N=C bond eclipsing one Si-C bond and the Me3Si group tilted sligthly.The methyl groups are twisted 26.9(35) deg from the position giving the Me3Si group C_3v symmetry in an (assumed) concerted fashion.The apparent deviations from linearity of the SiNCO skeleton are shown to be compatible with a pseudolinear structure similar to that of SiH3NCO.