The effect of hydroxyl groups on the stability and thermodynamic properties of polyhydroxylated xanthones as calculated by density functional theory

Article ID	Journal	Published Year	Pages	File Type
674303	Thermochimica Acta	2012	13 Pages	PDF

Abstract

âº The strength of the hydrogen bonds existed in PHOXTHs is ascertained. âº Good linear relations exist between the thermodynamic properties and NPHOS. âº The relative stability order of PHOXTH congeners is theoretically proposed. âº There is a good relation between Cp,m and the temperature.

Keywords

Standard Gibbs energy of formation Relative stability Density functional theory (DFT)Intramolecular hydrogen bonds

Related Topics

Physical Sciences and Engineering Chemical Engineering Fluid Flow and Transfer Processes

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The effect of hydroxyl groups on the stability and thermodynamic properties of polyhydroxylated xanthones as calculated by density functional theory

Authors

Ruijuan Qu, Hongxia Liu, Qi Zhang, Alison Flamm, Xi Yang, Zunyao Wang,