title: Conformations of trimethoxymethylsilane: matrix isolation infrared and ab initio studies.
abstract: 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.
authors.affiliation: Materials Chemistry Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, India.
authors.forename: V
authors.initials: V
authors.lastname: Kavitha
authors.forename: K
authors.initials: K
authors.lastname: Sundararajan
authors.forename: K S
authors.initials: KS
authors.lastname: Viswanathan