Conformations of trimethoxymethylsilane: matrix isolation infrared and ab initio studies.
Conformations of trimethoxymethylsilane were studied using matrix isolation infrared spectroscopy and ab initio computations. Trimethoxymethylsilane was trapped in both argon and nitrogen matrixes using heated nozzle effusive sources and a supersonic jet source, in an effort to alter the conformational population in the matrix. Ab initio calculations were carried out at the HF and B3LYP level using 6-31++G basis set to support our experimental observations. The frequencies computed at the B3LYP level was found to fit well with our experimental data. A conformer with a C1(g(+/-)g(+/-)t) structure was predicted by our computations to be the ground state conformer.
Kavitha
V
V
Materials Chemistry Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, India.
Sundararajan
K
K
Viswanathan
K S
KS