Solid-state kinetics and gas-phase prediction of 1,4-bis(trimethylsilyl)benzene

Abstract

The solid-state kinetics and gas-phase predictions of the 1,4-bis(trimethylsilyl)benzene (TMSB) are visualized by utilizing thermogravimetric and mass spectral data. The statistical analyses and reduced time plots of zero order (F0) and Avrami-Erofeev (A2) nucleation and growth models provides the best fit to experimental data for isothermal evaporation process for TMSB. The activation energy for non-isothermal evaporation processes of TMSB is calculated using isoconversional methods. The molecular structure and energetics of the predicted gas phase molecules and species in chemical vapor deposition process are investigated using semi-empirical quantum chemical calculations.