Chemistry Weekly Seminar- Sadegh Shokatian
Sadegh Shokatian, PhD Candidate, will present a seminar at 4:00 p.m. in Thorvaldson 271.
Title:
NEXAFS spectroscopy of condensed n-alkanes
Abstract:
Carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectra of alkanes vary with chain length, crystal structure and phase. The effect of dynamic motion in a liquid or solid can give a distribution of molecular structures rather than the single lowest energy structure. The first objective of this study is to understand the effect of dynamic motions in the liquid phase on NEXAFS spectra. This study is performed through calculations and experimental liquid phase NEXAFS spectroscopy of liquid n-alkanes. This is an entirely unexplored area of study.
The second objective of this study is to understand how structural differences in condensed n-alkanes affect their NEXAFS spectra. Computational studies were used to examine the effect of chain length, gauche defects, and thermally populated vibrations on the NEXAFS spectra.