Temperature-Induced Structural Changes of Tetrahydrofuran Clathrate and of the Liquid Water/Tetrahydrofuran Mixture

摘要: We present two complementary inelastic X-ray scattering studies on the structure of tetrahydrofuran (THF) clathrate hydrate and supercooled stoichiometric liquid mixture water THF. Compton experiments show that formation precursors is unlikely. By comparing experimental spectra THF water/THF mixtures at temperatures above 250 K with density functional theory calculations, structural changes manifest in OH bond length are observed. Raman measurements oxygen K-edge same temperature range corroborate these results. The results between 20 244 can be modeled best by assuming thermal expansion only. Therefore, dependency system’s different behavior reported.