Crystal structures of three new copper(II) halide layered perovskites: structural, crystallographic, and magnetic correlations

Journal of the American Chemical Society, Год журнала: 1988, Номер 110(26), С. 8639 - 8650

Опубликована: Дек. 1, 1988

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCrystal structures of three new copper(II) halide layered perovskites: structural, crystallographic, and magnetic correlationsRoger. Willett, Helen. Place, Michael. MiddletonCite this: J. Am. Chem. Soc. 1988, 110, 26, 8639–8650Publication Date (Print):December 1, 1988Publication History Published online1 May 2002Published inissue 1 December 1988https://pubs.acs.org/doi/10.1021/ja00234a010https://doi.org/10.1021/ja00234a010research-articleACS PublicationsRequest reuse permissionsArticle Views2001Altmetric-Citations187LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum full text article downloads since November 2008 (both PDF HTML) across all institutions individuals. These metrics regularly updated to reflect usage leading up last few days.Citations number other articles citing this article, calculated by Crossref daily. Find more information about citation counts.The Altmetric Attention Score is a quantitative measure attention that research has received online. Clicking on donut icon will load page at altmetric.com with additional details score social media presence for given article. how calculated. Share Add toView InAdd Full Text ReferenceAdd Description ExportRISCitationCitation abstractCitation referencesMore Options onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-AlertscloseSupporting Info (1)»Supporting Information Supporting Get e-Alerts

Язык: Английский

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Review of the molecular and crystal correlations on sensitivities of energetic materials

Journal of Hazardous Materials, Год журнала: 2020, Номер 398, С. 122910 - 122910

Опубликована: Май 14, 2020

Язык: Английский

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π–π Stacking Contributing to the Low or Reduced Impact Sensitivity of Energetic Materials

Crystal Growth & Design, Год журнала: 2020, Номер 20(5), С. 2824 - 2841

Опубликована: Апрель 15, 2020

π–π stacking, usually together with the aid of hydrogen bonding (HB), serves as a main characteristic low impact, sensitive, highly energetic materials (LSHEMs), which are desired for application, and attracts considerable attention in designing synthesizing new EMs. This Perspective highlights progress insights into stacking EMs, covering traditional crystals homogeneous neutral molecules, cocrystals (ECCs), ionic salts (EISs). A rather large π-bond is requisite can be classified four patterns, including face-to-face wavelike crossing mixing an increasing difficulty shear sliding, HB plays important role supporting sliding layers. Straightforwardly, pattern–impact sensitivity relationship rooted steric hindrance when preferred to design LSHEMs at crystal level, due least or lowest barrier among patterns. has been extensively observed ECCs, EISs, enlightening us make rule EMs such stacking. However, it still difficult rule, attributed unclear between molecular structures. Maybe, will become increasingly feasible achieve by establishing database detailed information on molecules related amount data collecting experimental predicted results, combining advanced machine learning technologies. Combining this article recent review (Cryst. Growth Des. 2019, 19 (10), 5981–5997), overall perspective intermolecular interactions C, H, O, N atoms could have presented.

Язык: Английский

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Review of the Intermolecular Interactions in Energetic Molecular Cocrystals

Crystal Growth & Design, Год журнала: 2020, Номер 20(10), С. 7065 - 7079

Опубликована: Авг. 26, 2020

Energetic cocrystallization is thriving now and presents a promising perspective to create new energetic materials (EMs). In comparison with the single-component EMs, creation of cocrystals exhibits greater significance crystal engineering, whose central scientific issue intermolecular interaction. This article reviews current progress in studying interactions molecular (EMCCs), as well stacking thermodynamics for EMCC formation. The include hydrogen bonding (HB), π interactions, halogen bonding. strength these found be generally weak, similar that crystals. By means cocrystallization, can improved prone layered stacking, facilitating low impact sensitivity. could feasible alleviating energy–safety contradiction EMs. driving force formation thought increase entropy, because EMCCs are nature products an randomness, small variation original pure components. Finally, dependence properties on compositions structures components proposed attract increasing attention, it base creating EMs tunable compositions, structures, by way engineering.

Язык: Английский

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Hirshfeld Surface Method and Its Application in Energetic Crystals

Crystal Growth & Design, Год журнала: 2021, Номер 21(12), С. 6619 - 6634

Опубликована: Ноя. 9, 2021

Understanding intermolecular interactions is fundamental to understanding the molecular stacking structures and some properties of energetic crystals, such as density, energy, mechanics, sensitivity. The Hirshfeld surface method a straightforward tool reveal nowadays has become increasingly popular in field materials. This article highlights wide range applications this describing including hydrogen bonding, π-stacking, halogen lone pair−π (n−π) stacking, patterns, predicting shear sliding characteristic further impact Meanwhile, roughness quantitative description interaction strength method, main shortcoming, pointed out herein. Thus, work expected guide right full use method. Besides, we present perspective about using rapidly screen mode sensitivity; thus, fast screening two most important can be implemented, combination with existing mature energy prediction methods based on components. Thereby, more reliable procedure an additional consideration pattern will produced, setting basis for data-driven crystal engineering research

Язык: Английский

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Full-nitro-nitroamino cooperative action: Climbing the energy peak of benzenes with enhanced chemical stability

Science Advances, Год журнала: 2022, Номер 8(12)

Опубликована: Март 23, 2022

More nitro groups accord benzenes with higher energy but lower chemical stability. Hexanitrobenzene (HNB) a fully nitrated structure has stood as the peak of organic explosives since 1966, it is very unstable and even decomposes in moist air. To increase limit strike balance between stability, we propose an interval full-nitro-nitroamino cooperative strategy to present new benzene, 1,3,5-trinitro-2,4,6-trinitroaminobenzene (TNTNB), which was synthesized using acylation-activation-nitration method. TNTNB exhibits high density (d: 1.995 g cm-3 at 173 K, 1.964 298 K) excellent heat detonation (Q: 7179 kJ kg-1), significantly exceed those HNB 6993 kg-1) state-of-the-art explosive CL-20 6534 kg-1); thus, represents for explosives. Compared HNB, also enhanced stability water, acids, bases.

Язык: Английский

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Toward the defect engineering of energetic materials: A review of the effect of crystal defects on the sensitivity

Chemical Engineering Journal, Год журнала: 2021, Номер 429, С. 132310 - 132310

Опубликована: Сен. 9, 2021

Язык: Английский

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Review of the decomposition and energy release mechanisms of novel energetic materials

Chemical Engineering Journal, Год журнала: 2024, Номер 483, С. 149202 - 149202

Опубликована: Янв. 29, 2024

Язык: Английский

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Polymorphic Transition in Traditional Energetic Materials: Influencing Factors and Effects on Structure, Property, and Performance

Crystal Growth & Design, Год журнала: 2020, Номер 20(5), С. 3561 - 3576

Опубликована: Март 24, 2020

Polymorphism is universal in energetic materials, and polymorphic transformation (PT) causes variations the structure, properties, performance. This article reviews polymorphs of six traditional compounds (ECs), including 2,4,6-trinitrotoluene (TNT), pentaerythritol tetranitrate (PETN), 1,3,5-trinitro-1,3,5-triazinane (RDX), 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), 2,2-dinitroethylene-1,1-diamine (FOX-7), PT-induced molecular packing structures energies, crystal morphology, sensitivity detonation performance, defects, as well factors influencing PT strategies for controlling PT. In all determined experimentally, there a small difference volume, whereas large can appear conformation, intermolecular distance, pattern, density, sensitivity, Moreover, addition to temperature pressure, quality additive seriously affect addition, recrystallization, coatings, additives are available control Finally, some issues raised, such determination new at high clarifying boundary mechanism, considering extremes understanding an EC, paying attention newly thriving cocrystals ionic salts.

Язык: Английский

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Melamine N-oxide based self-assembled energetic materials with balanced energy & sensitivity and enhanced combustion behavior

Chemical Engineering Journal, Год журнала: 2020, Номер 395, С. 125114 - 125114

Опубликована: Апрель 18, 2020

Язык: Английский

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