Controlling Thermal Expansion in Supramolecular Halogen‐Bonded Mixed Cocrystals through Synthetic Feed and Dynamic Motion DOI
Navkiran Juneja,

Nicole M. Shapiro,

Daniel K. Unruh

и другие.

Angewandte Chemie, Год журнала: 2022, Номер 134(26)

Опубликована: Март 29, 2022

Abstract Control over thermal expansion (TE) behaviors in solid materials is often accomplished by modifying the molecules or intermolecular interactions within solid. Here, we use a mixed cocrystal approach and incorporate with similar chemical structures, but distinct functionalities. Development of cocrystals at nascent stage, here describe first sustained one‐dimensional halogen bonds. Within each cocrystal, halogen‐bond donor fixed, while acceptor site contains two variable ratio. X‐ray diffraction demonstrates isostructurality across series, SEM‐EDS shows equal distribution heavy atoms atomic compositions all cocrystals. The differ their ability to undergo dynamic motion state. synthetic equivalents capable incapable were systematically varied yield direct tunabililty TE behavior.

Язык: Английский

Controlling Thermal Expansion in Supramolecular Halogen‐Bonded Mixed Cocrystals through Synthetic Feed and Dynamic Motion DOI
Navkiran Juneja,

Nicole M. Shapiro,

Daniel K. Unruh

и другие.

Angewandte Chemie International Edition, Год журнала: 2022, Номер 61(26)

Опубликована: Март 29, 2022

Control over thermal expansion (TE) behaviors in solid materials is often accomplished by modifying the molecules or intermolecular interactions within solid. Here, we use a mixed cocrystal approach and incorporate with similar chemical structures, but distinct functionalities. Development of cocrystals at nascent stage, here describe first sustained one-dimensional halogen bonds. Within each cocrystal, halogen-bond donor fixed, while acceptor site contains two variable ratio. X-ray diffraction demonstrates isostructurality across series, SEM-EDS shows equal distribution heavy atoms atomic compositions all cocrystals. The differ their ability to undergo dynamic motion state. synthetic equivalents capable incapable were systematically varied yield direct tunabililty TE behavior.

Язык: Английский

Процитировано

22
Hydrogen-bonded self-assembly of purine with picric acid: Super heat-resistant and insensitive explosives DOI

Qamar‐un‐Nisa Tariq,

Maher‐un‐Nisa Tariq,

Saira Manzoor

и другие.

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 159133 - 159133

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
Development and current status of electrochemical energy storage materials DOI
Shucun Li, Miao Zhu, Peng Wang

и другие.

Journal of Physics and Chemistry of Solids, Год журнала: 2025, Номер unknown, С. 112917 - 112917

Опубликована: Июнь 1, 2025

Язык: Английский

Процитировано

0
Organic and Inorganic Biocidal Energetic Materials for Agent Defeat Weapons: An Overview and Research Perspectives DOI Creative Commons
Andrea P. Reverberi, В. П. Мешалкин, О. Б. Бутусов

и другие.

Energies, Год журнала: 2023, Номер 16(2), С. 675 - 675

Опубликована: Янв. 6, 2023

A critical survey concerning biocidal energetics is proposed according to a classification depending on their chemical structure. The need of optimizing the performances such compounds an important target for inertization biological weapons, requiring synergy between thermal effects combustion/detonation with reaction products released into environment. main physicochemical aspects related synthesis technique, thermodynamic variables and antimicrobial activity have been discussed compared. In particular, different kinds biocides taken account, particular attention role iodine as one most promising eco-friendly species this purpose, in line paradigms environmental protection rational utilization chemicals. Furthermore, protocols adopted assess effectiveness agents thoroughly examined recent studies by some reputable research groups field. Finally, insights future investigations are proposed.

Язык: Английский

Процитировано

7
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes DOI Creative Commons
Ruđer Sušanj, Nikola Bedeković,

Sara Cerovski

и другие.

CrystEngComm, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

Novel halogen-bonded cocrystals of seven oxazoles as multifunctional acceptors have been synthesized with selected iodoperfluorinated benzenes and structurally characterized.

Язык: Английский

Процитировано

1
An AIE active imidazole conjugated α-cyanostilbene based sensor for the selective and sensitive detection of picric acid in an aqueous medium DOI Creative Commons

Selin Manoj Kumar,

Sathiyanarayanan Kulathu Iyer

Sensors and Actuators Reports, Год журнала: 2023, Номер 6, С. 100177 - 100177

Опубликована: Окт. 14, 2023

Due to increasing pollution threats, terrorism-sensitive rapid sensing of aromatic nitro explosives (picric acid) has gained predominant significance in environmental safety. Herein, imidazole-derived monofunctional fluorescent sensor 2-(4-aminophenyl)-3-(3-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxyphenyl) acrylonitrile (ADHA) was successfully developed for the selective recognition explosive picric acid. The D-π-A configuration ADHA facilitates extraordinary photophysical properties with remarkable aggregation-induced emission (AIE). detection process is induced by photon-induced electron transfer (PET) and resonance energy (RET) results generation ADHA+PA complex. structural relationship were extensively studied DFT (Density Functional Theory) methods spectroscopic analysis. It been calculated that limit formed complex 6.26 nM. In addition, 1H NMR titrations calculations, HRMS analysis performed understand mechanism better. Test strip-aided invisible ink applications confirmed a versatile sensitively detecting acid without sophisticated instruments. implemented detect PA real water samples recovery.

Язык: Английский

Процитировано

3
Improved stability of picric acid: 1-aminopyrene’ charge-transfer complex: Synthesis, characterization, energetic performance and molecular docking study with B-DNA DOI
Gülbin Kurtay, Nilgün Şen

Journal of Molecular Structure, Год журнала: 2022, Номер 1262, С. 133058 - 133058

Опубликована: Апрель 10, 2022

Язык: Английский

Процитировано

4
3,5‐difluoro‐2,4,6‐trinitrophenol: A high‐energy compound born under the “NO2FNO2” construction strategy DOI Open Access
Jin Zhu, Cong Li, Suming Jing

и другие.

Propellants Explosives Pyrotechnics, Год журнала: 2023, Номер 49(2)

Опубликована: Дек. 7, 2023

Abstract 3,5‐Difluoro‐2,4,6‐trinitrophenol (DFTNP) was designed as energetic compounds, based on the “NO 2 FNO ” strategy. Its structure fully characterized by IR, NMR, elemental analysis, and single‐crystal X‐ray diffraction. Physico‐chemical characterization of this compound investigated several theoretical techniques. The result indicated that DFTNP is less sensitive to external stimuli, with a thermal sensitivity 213 °C, impact friction 15 J 240 N. It also shows particularly high density (ρ=1.949 g cm −3 ) detonation performance (D=8440 m s −1 , P=32.60 GPa), which far exceeds picric acid. crystal packing intermolecular interaction play an important role inreducing localized heating. In addition, has great potential for building ionic salts, its ammonium salt exhibits better performance. Good not only highlight suitable replacement acid, but suggests may be good choice in designing compounds.

Язык: Английский

Процитировано

1
Influence of halogen substituents on sensitivity towards detonation of polycyclic nitroaromatic high‐energy molecules DOI
Ivana Veljković, Aleksandra B. Đunović, Dušan Ž. Veljković

и другие.

Journal of Physical Organic Chemistry, Год журнала: 2024, Номер 37(10)

Опубликована: Июль 12, 2024

Abstract Analysis of molecular electrostatic potential (MEP) on the surface high‐energy molecules is often used to predict detonation properties these compounds since strong positive values potentials in central regions are related high sensitivity towards detonation. In this work, we combined bond dissociation energy (BDE) calculations with analysis MEPs reveal influence halogen substituents sensitivities a series halogen‐substituted dinitronaphthalenes. Obtained results showed that affect studied by tilting neighboring NO 2 groups, which decreased stability corresponding C–N bonds. addition, atoms modifying surfaces.

Язык: Английский

Процитировано

0
Controlling Thermal Expansion in Supramolecular Halogen‐Bonded Mixed Cocrystals through Synthetic Feed and Dynamic Motion DOI
Navkiran Juneja,

Nicole M. Shapiro,

Daniel K. Unruh

и другие.

Angewandte Chemie, Год журнала: 2022, Номер 134(26)

Опубликована: Март 29, 2022

Abstract Control over thermal expansion (TE) behaviors in solid materials is often accomplished by modifying the molecules or intermolecular interactions within solid. Here, we use a mixed cocrystal approach and incorporate with similar chemical structures, but distinct functionalities. Development of cocrystals at nascent stage, here describe first sustained one‐dimensional halogen bonds. Within each cocrystal, halogen‐bond donor fixed, while acceptor site contains two variable ratio. X‐ray diffraction demonstrates isostructurality across series, SEM‐EDS shows equal distribution heavy atoms atomic compositions all cocrystals. The differ their ability to undergo dynamic motion state. synthetic equivalents capable incapable were systematically varied yield direct tunabililty TE behavior.

Язык: Английский

Процитировано

2