Microwave, r0 Structural Parameters, Conformational Stability, and Vibrational Assignment of (Chloromethyl)fluorosilane

The FT-microwave spectrum (6.5–26 GHz) of (chloromethyl)fluorosilane (ClCH2–SiH2F) has been recorded and 250 transitions for the parent species along with 13C, 37Cl, 29Si, and 30Si isotopologues have been assigned for trans conformer. Infrared spectra (3100 to 400 cm–1) of gas, solid, and the variable temperature (−100 to −60 °C) studies of the infrared spectra of the sample dissolved in xenon have been recorded. Additionally, the variable temperature (−153 to −133 °C) studies of the Raman spectra of the sample dissolved in krypton have been recorded. The enthalpy difference between the trans and gauche conformers in xenon solutions has been determined to be 109 ± 15 cm–1 (1.47 ± 0.16 kJ mol–1), and in krypton solution, the enthalpy difference has been determined to be 97 ± 16 cm–1 (1.16 ± 0.19 kJ mol–1) with the trans conformer as the more stable form. Approximately 46 ± 2% of the trans form is present at ambient temperature. By utilizing the microwave rotational constants of five isotopologues for trans...