Application of terahertz spectroscopy and molecular modeling in isomers investigation: Glucose and fructose

Abstract

Terahertz spectra of glucose and fructose have been measured by terahertz time-domain spectroscopy (THz-TDS) at room temperature. Because they have the same molecular formula, the differences of the THz spectra can be attributed to their molecular structures and the arrangement of molecules in unit cell In this paper, gaseous-state theory has been employed to simulate the isolated molecule of these two isomers. The results indicate that experimental THz spectral features (0.5-4.0 THz) of glucose and fructose arise from the mixture of intramolecular and intermolecular modes, involving hydrogen bonds and covalent bonds, and with the intermolecular modes dominating. (C) 2011 Elsevier B.V. All rights reserved