New explosive materials through covalent and non-covalent synthesis: Investigation of explosive properties of trinitrotoluene: Acridine and picric acid: Acridine

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dc.contributor.authorŞen, Nilgün
dc.contributor.authorPons, Jean-François
dc.contributor.authorKurtay, Gülbin
dc.contributor.authorYüksel, Bayram
dc.contributor.authorNazir, Hasan
dc.contributor.authorKhumsri, Akachai
dc.contributor.authorAtakol, Orhan
dc.date.accessioned2023-09-21T13:58:49Z
dc.date.available2023-09-21T13:58:49Z
dc.date.issued2023-07-10
dc.description.abstractTrinitrotoluene (TNT) and picric acid (PIC) suffer from suboptimal thermal and impact sensitivities, which severely hinder their real-world use. We here demonstrate how co-crystallization with acridine (ACR) can improve these properties of TNT and PIC without detrimentally affecting their explosive performance. Remarkably, while PIC:ACR formed readily, attempts to co-crystallise TNT with ACR led to formation of new covalent bonds between the co-formers, thereby creating a new molecular entity. The structure and energetic behaviour of both novel solid forms (PIC:ACR and TNT-ACR) were characterised using a range of experimental and computational tools, indicating that both materials have improved thermal and mechanical stability but explosive performance has decreased to some extent. These findings will increase the likelihood of rational energetic material design in the future and open a new chapter in this discipline.en_UK
dc.identifier.citationŞen N, Pons J-F, Kurtay G, et al., (2023) New explosive materials through covalent and non-covalent synthesis: Investigation of explosive properties of trinitrotoluene: Acridine and picric acid: Acridine. Journal of Molecular Structure, Volume 1292, November 2023, Article number 136080en_UK
dc.identifier.issn0022-2860
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2023.136080
dc.identifier.urihttps://dspace.lib.cranfield.ac.uk/handle/1826/20269
dc.language.isoenen_UK
dc.publisherElsevieren_UK
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectEnergetic saltsen_UK
dc.subjectPicric aciden_UK
dc.subjectTrinitrotolueneAcridineen_UK
dc.subjectNon-covalent interactionsen_UK
dc.subjectCarbanion adductsen_UK
dc.titleNew explosive materials through covalent and non-covalent synthesis: Investigation of explosive properties of trinitrotoluene: Acridine and picric acid: Acridineen_UK
dc.typeArticleen_UK

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