Composition and Structure of Hydrates Formed in Aqueous Solutions of Formic Acid

Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivity

“…62 Finally, a study considering clathrate formation involving formic acid and water interpreted the measured infrared spectra as partially originating from water-mediated cyclic formic acid dimers in which the two formic acid monomers are H-bonded by a bridging water molecule. 63 An independent MD simulation for FAD in water reported 57 a negligible stabilization free energy for cyclic FAD of 0.6 kcal mol −1 which is surprising given the substantial gas phase stability of FAD of −16.8 kcal mol −1 . 33,41 Very recent Raman spectroscopy measurements reported formation of both, singly and cyclic H-bonded FADs.…”

A Combined Crystallographic and Computational Study on Dexketoprofen Trometamol Dihydrate Salt

“…X-ray crystallography is the key to studying structure-property relationships and single crystal X-ray diffraction (SCXRD) is the method of choice for molecular and crystal structure determination when crystals are available, as well as X-ray powder diffraction (XRPD), which provides an alternative valuable tool for the characterization of crystalline powder materials [10]. Both of these techniques [11][12][13][14][15], complemented by differential scanning calorimetry [16][17][18], solid state NMR [19], IR-UV and Raman spectroscopy [20][21][22] and modelling [23][24][25][26][27][28][29], can be successfully used to characterize the solid state features and behavior (e.g., phase stability, polymorphism, phase transformation) of a large variety of compounds including APIs' key precursors, well-known APIs as well as new promising active pharmaceutical compounds.…”