Grabau, Mathias et al. published their research in European Journal of Inorganic Chemistry in 2011 |CAS: 2160-93-2

The Article related to phosphovanadate preparation theroretical hirshfeld analysis, crystal structure phosphovanadate, Inorganic Chemicals and Reactions: Coordination Compounds and other aspects.Formula: C8H19NO2

On April 30, 2011, Grabau, Mathias; Forster, Johannes; Heussner, Kirsten; Streb, Carsten published an article.Formula: C8H19NO2 The title of the article was Synthesis and Theoretical Hirshfeld Analysis of a Supramolecular Heteropolyoxovanadate Architecture. And the article contained the following:

A supramol. heteropolyoxovanadate structure was synthesized and characterized using single-crystal XRD, powder XRD and a range of spectroscopic methods. The new compound, [tBuNH(C2H4OH)2]4[H5P1V14O42]·12H2O (1) was obtained using a 1-pot strategy starting from a simple inorganic V oxide precursor and an amphiphilic cation in acidic aqueous solution The cluster anion [H5P1V14O42]4- is based on the known Keggin structure but in addition features two capping vanadyl [V=O]3+ units. In the crystal lattice, the clusters are arranged in linear 1-dimensional chains where neighboring clusters are directly linked by one H bond. The assembly is stabilized by lattice H2O mols. and organic counterions which aggregate to form hydrophobic cavities with diameters of 0.6 nm. To analyze the supramol. interactions leading to the cluster formation, the authors used a combination of traditional structural anal., theor. bond valence sum (BVS) calculations and computational Hirshfeld surface analyses which allow the rapid determination of short- and long-range intermol. contacts. The applicability of the Hirshfeld anal. tool for complex ionic compounds is evaluated and the advantages as well as the limitations of the method are discussed. The combination of these techniques allowed the authors to assess the dominating intermol. interactions and showed that the crystal packing is not only controlled by electrostatic interactions, but also by distinctive sets of H bonds and hydrophobic interactions between adjacent organic counterions. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Formula: C8H19NO2

The Article related to phosphovanadate preparation theroretical hirshfeld analysis, crystal structure phosphovanadate, Inorganic Chemicals and Reactions: Coordination Compounds and other aspects.Formula: C8H19NO2

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