Abstract
The carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectra of liquid phase n-alkanes have been measured for the first time. Clear trends are observed in the liquid phase spectra as a function of chain length. Specifically, the ‘C-H band’ in the NEXAFS spectra shifts to lower energy as the chain length increases. Characteristic differences between the gas, liquid and solid phase spectra are observed. Differences in the liquid phase n-alkane NEXAFS spectra are examined through molecular dynamics simulations coupled with density functional theory simulations of the NEXAFS spectra.
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