Synchrotron-based infrared spectrum of oxetane
Loading...
Date
2016
Authors
Mahassneh, Omar
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
The rovibrational spectrum of oxetane (c-C3H6O) was measured between 400 cm-1 and 1180 cm-1 using the far-infrared beamline at the Canadian Light Source (CLS) with a resolution of 0.00096 cm-1. Analysis of this spectrum shows that the low frequency vibration ring puckering mode (ν18) at 53 cm-1 couples with the other modes, which has consequences on the spectrum of higher frequency vibrations: many hot and combination bands appear in this region in addition to significant perturbations due to Coriolis interactions. The distinguished rotational structure of the observed bands allowed their assignment confidently and reveals bands unseen in the low resolution infrared spectrum. Chapter 2 provides a description of the experimental and theoretical techniques used in this work. Chapter 3 discusses the analysis of the spectrum between 700 cm-1 and 900 cm-1 including the ring deformation fundamental (ν8) and combination bands of the ring puckering (ν18) and the β-CH2-rocking (ν17) modes that were first recognized in this work. In Chapter 4, the preliminary rovibrational analysis of the C-O asymmetric stretch (ν23) at 1008 cm-1, two hot bands and also perturbations in ν23 are discussed. Chapter 5 discusses the rovibrational analysis of the C-C symmetric stretch (ν6) at 1033 cm-1 and the analysis of the Coriolis interactions of this band with ν23. Chapter 6 describes the analysis of the Coriolis interactions between (ν23) and C-C asymmetric stretch hot band (ν18+ν24 - ν18) at 944 cm-1 and a global fit of these two bands and the ν6 band Analysis of the Coriolis interactions in this study represents the first perturbation analysis in oxetane, which gives an idea about the effect of Coriolis interactions among other states in this molecule. This work tells us what to anticipate in the spectrum of molecules that have low frequency modes.
Description
Keywords
Synchrotron, Ifrared, Oxetane, Trimethylene oxide, Ring puckering, Coriolis, Perturbation, Spectroscopy, Rotational, Vibrational, Chemistry, Physics, Rovibrational spectrum, Ro-vobrational spectrum, Combination band, Fundamental, IR, Far-IR, Far-infrared, Radiation,