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Bibliographic record number: 927437

Journal

Authors: Lukin, Stipe; Lončarić, Ivor; Tireli, Martina; Stolar, Tomislav; Blanco, Maria V.; Lazić, Predrag; Užarević, Krunoslav; Halasz, Ivan.
Title: Experimental and Theoretical Study of Selectivity in Mechanochemical Cocrystallization of Nicotinamide with Anthranilic and Salicylic Acid
( Experimental and Theoretical Study of Selectivity in Mechanochemical Cocrystallization of Nicotinamide with Anthranilic and Salicylic Acid )
Source: Crystal growth & design (1528-7483) 18 (2018), 3; 1539-1547
Paper type: article
Keywords: mechanochemical selectivity ; mechanochemical cocrystallization ; nicotinamide ; anthranilic acid ; salicylic acid ; in situ Raman monitoring ; in situ PXRD ; tandem in situ monitoring
( mechanochemical selectivity ; mechanochemical cocrystallization ; nicotinamide ; anthranilic acid ; salicylic acid ; in situ Raman monitoring ; in situ PXRD ; tandem in situ monitoring )
Abstract:
Selectivity in mechanochemical cocrystal formation between nicotinamide and anthranilic acid or salicylic acid was studied using tandem in situ reaction monitoring by powder X-ray diffraction (PXRD) and Raman spectroscopy. Selectivity was probed by offering a competing cocrystal coformer to a previously prepared cocrystal or under competitive reaction conditions where all cocrystal coformers, in different stoichiometric ratios, were introduced together in the starting reaction mixture. Reaction paths were dependent on the starting mixture composition, and we find that the formation of intermediates and the final product can be predicted from solid-state ab initio calculations of relative energies of possible reaction mixtures. In some cases, quantitative assessment revealed different reaction profiles derived from PXRD and Raman monitoring, directly indicating, for the first time, different mechanochemical reactivity on the molecular and the bulk crystalline level of the reaction mixture.
Project / theme: EK-H2020-692194, HRZZ-UIP-2014-09-4744
Original language: eng
Citation databases: Current Contents Connect (CCC)
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Category: Znanstveni
Research fields:
Chemistry
Full paper text: 927437.Manuscript.pdf (tekst priložen 24. Ožu. 2018. u 08:10 sati)
URL: https://pubs.acs.org/doi/abs/10.1021/acs.cgd.7b01512
Broj citata:
Altmetric:
DOI: 10.1021/acs.cgd.7b01512
URL cjelovitog rada:
Google Scholar: Experimental and Theoretical Study of Selectivity in Mechanochemical Cocrystallization of Nicotinamide with Anthranilic and Salicylic Acid
Contrib. to CROSBI by: Martina Tireli (Martina.Tireli@irb.hr), 25. Vel. 2018. u 10:35 sati



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