Crystal Structure Landscapes from combined Vibrational Spectroscopy and ab initio Calculations: 4-(dimethylamino) benzaldehyde. Abstract In this work, the usefulness of the Pairs in Molecular Materials (PiMM) approach to elucidate unknown structures of molecular crystals is assessed. This methodology aims to assist the prediction of probable crystal structures from the vibrational spectra, through the identification of…

3D-2D-0D Stepwise Deconstruction of a Water Framework Templated by a Nanoporous Organic-Inorganic Hybrid Host. Abstract The supramolecular salt [H2pip]3[Ge(hedp)2]⋅14 H2O (1) [H2pip2+=piperazine cation C4H12N22+; hedp5−=deprotonated form of etidronic acid, C2H3P2O75−) is reported. This consists of an organic–inorganic hybrid hydrogen-bonded nanoporous framework, the internal surface of which acts as a template for the three-dimensional (3D) clustering…

Identification of selected seaweed polysaccharides (phycocolloids) by vibrational spectroscopy (FTIR-ATR and FT-Raman) Abstract The wide industrial application of phycocolloids (e.g. alginates, agar and carrageenans) is based on their particular properties to form gels in aqueous solution. These seaweed polysaccharides present a chemical structure related with the taxonomic position of the algae: carrageenans are produced by…

Insights into phase stability of anhydrous-hydrate systems: a Raman-based methodology Abstract FT-Raman spectroscopy turns out to be a powerful technique to evaluate the amount of polymorphic and pseudopolymorphic forms in crystalline samples – which is particularly relevant in pharmaceutical sciences. This paper presents a methodology that allows successful quantitative evaluation of the solid-state hydration and…

The solid-liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids Abstract For the first time, the solid–liquid phase diagrams of five binary mixtures of saturated fatty acids are here presented. These mixtures are formed of caprylic acid (C8:0) + capric acid (C10:0), capric acid (C10:0) + lauric acid (C12:0), lauric acid (C12:0)…