RT @ChemEurJ: #CoverFeature Formation and Stability of Benzylic Amide [2]- and [3]Rotaxanes: An Intercomponent Interactions Study (ChemEurJ…

@gavi_cari @LatinXChem Yes, DFT calculations, but using the geometries from SC-XRD without further optimization. This to assess the intermolecular interactions present in the formed crystal lattice

@PaoFAlc1 @LatinXChem Gracias Paola, por toda la información.

@lumazanella @LatinXChem @UFSM_oficial @ufsmfw Thank you Luma!

@gabimollossi @LatinXChem @UFSM_oficial @ufsmfw Thank you!

@brun_hennemann @TainaraOrlando @LatinXChem @UFSM_oficial @ufsmfw Thank you Bruno!

@FellipeFreire @LatinXChem @UFSM_oficial @ufsmfw Thank you Fellipe!

@AnchietaChayene @LatinXChem @UFSM_oficial @ufsmfw From this, we can compare a reference molecule (with a desired property) with other molecules in a series. I'm not sure about the application you mentioned. Here, we mainly used as a study model to provide data to test or method. (2/2)

@RalJurez148137 @LatinXChem Are there plans to test these MOCs for pollutant capture in real-world conditions, such as wastewater? in this case, possible interference from other molecules, contaminants, and ions will be a consideration. (4/4)

@Pau_H_P @LatinXChem @SupraNano Thank you Paulina for sharing your work

@gavi_cari @LatinXChem Do you plan to investigate the possibility of different phases or polymorphs by using other counter-anions or structural modifications? Have you considered use stabilization energy calculations to better understand the intermolecular interactions between the complexes? (3/3)

@rosario_borda @LatinXChem @Inquimae1 @Exactas_UBA @CONICETDialoga Are there any data or planned analyses to map the supramolecular environment more comprehensively to not depend only of one chose synthon? Also, do you think it’s possible to obtain polymorphs from different crystallization experiments with this type of molecule? (3/3)