Customization of the molecular structure to modulate the crystal packing style of energetic materials

Qi Huang, Zhicheng Guo, Longyu Liao, Shilong Hao, Fude Nie and Hongzhen Li

Mol. Syst. Des. Eng., 2019, 4, 1032
DOI: 10.1039/C9ME00051H

Relationship between the crystal packing and impact sensitivity of energetic materials

Beibei Tian, Ying Xiong, Lizhen Chen and Chaoyang Zhang

CrystEngComm, 2018, 20, 837
DOI: 10.1039/C7CE01914A

Toward low-sensitive and high-energetic co-crystal II: structural, electronic and energetic features of CL-20 polymorphs and the observed CL-20-based energetic–energetic co-crystals

Chaoyang Zhang, Xianggui Xue, Yaofeng Cao, Junhong Zhou, Anbang Zhang, Hongzhen Li, Yang Zhou, Ruijuan Xu and Tao Gao

CrystEngComm, 2014, 16, 5905
DOI: 10.1039/c4ce00584h

Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole

Jie Tang, Guangbin Cheng, Ying Zhao, Pengju Yang, Xuehai Ju and Hongwei Yang

CrystEngComm, 2019, 21, 4701
DOI: 10.1039/C9CE00782B

Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking

Jie Tang, Hongwei Yang, Hualin Xiong, Wei Hu, Caijin Lei and Guangbin Cheng

New J. Chem., 2020, 44, 5895
DOI: 10.1039/D0NJ00541J

An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative

Jie Tang, Jieyi Chen, Pengju Yang, Hongwei Yang and Guangbin Cheng

New J. Chem., 2020, 44, 15849
DOI: 10.1039/D0NJ03476B

Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds

Michael S. Gruhne, Tobias Lenz, Markus Rösch, Marcus Lommel, Maximilian H. H. Wurzenberger, Thomas M. Klapötke and Jörg Stierstorfer

Dalton Trans., 2021, 50, 10811
DOI: 10.1039/D1DT01898A

Metal-free stereoselective addition of propiolic acids to ynamides: a concise synthetic route to highly substituted enediyne/dienyne-(E)-N,O-acetals

Rangu Prasad, Suresh Kanikarapu, Shubham Dutta, Srinivas Vangara and Akhila K. Sahoo

New J. Chem., 2022, 46, 13981
DOI: 10.1039/D2NJ01907H

Combining 1,2,4-triazole and pyrazole frameworks for new insensitive energetic materials

Changhao Dai, Jieyi Chen, Jie Tang, Guangbin Cheng and Hongwei Yang

New J. Chem., 2021, 45, 17960
DOI: 10.1039/D1NJ03433B

Iodine-containing furazan compounds: a promising approach to high-performance energetic biocidal agents

Jinjie Chang, Lu Hu, Siping Pang and Chunlin He

J. Mater. Chem. A, 2023, 11, 15979
DOI: 10.1039/D3TA02883F

A theoretical prediction on the shear-induced phase transformation of TKX-50

Zhipeng Lu, Xianggui Xue and Chaoyang Zhang

Phys. Chem. Chem. Phys., 2017, 19, 31054
DOI: 10.1039/C7CP06363F

A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials

Jichuan Zhang, Zhenyuan Wang, Yunhao Hsieh, Binshen Wang, Haifeng Huang, Jun Yang and Jiaheng Zhang

RSC Adv., 2020, 10, 2519
DOI: 10.1039/C9RA09555A

Octanitropyrazolopyrazole: a gem-trinitromethyl based green high-density energetic oxidizer

Khaja Mohammad, Vikranth Thaltiri, Nagarjuna Kommu and Anuj A. Vargeese

Chem. Commun., 2020, 56, 12945
DOI: 10.1039/D0CC05704E

Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending

Indira S. Divya, Saravanan Kandasamy, Shodai Hasebe, Toshiyuki Sasaki, Hideko Koshima, Krzysztof Woźniak and Sunil Varughese

Chem. Sci., 2022, 13, 8989
DOI: 10.1039/D2SC02969C

Two-sided effects of strong hydrogen bonding on the stability of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

Liya Meng, Zhipeng Lu, Xianfeng Wei, Xianggui Xue, Yu Ma, Qun Zeng, Guijuan Fan, Fude Nie and Chaoyang Zhang

CrystEngComm, 2016, 18, 2258
DOI: 10.1039/C5CE02089A

Multi-energetic group synergy driven design and synthesis of [1,2,4]triazolo[5,1-c][1,2,4]triazine-fused energetic compounds

Yubing Liu, Jie Li, Xun Zhang, Chunlin He and Siping Pang

Mater. Chem. Front., 2023, 7, 1046
DOI: 10.1039/D2QM01321E

Novel strategies for synthesizing energetic materials based on BTO with improved performances

Jinhao Zhang, Bo Jin, Rufang Peng, Chunhuan Niu, Lipengcheng Xiao, Zhicheng Guo and Qingchun Zhang

Dalton Trans., 2019, 48, 11848
DOI: 10.1039/C9DT02334H

1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure–property relationship

Tingou Yan, Guangbin Cheng and Hongwei Yang

New J. Chem., 2020, 44, 6643
DOI: 10.1039/D0NJ00518E

Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity

Jinxiong Cai, Yingqi Xia, Hui Zhang, Dongshuai Su, Qi Lai, Ping Yin and Siping Pang

Phys. Chem. Chem. Phys., 2025, 27, 3463
DOI: 10.1039/D4CP03051F

Nature of the Enhanced Self-Heating Ability of Imperfect Energetic Crystals Relative to Perfect Ones

Chuan Deng, Xianggui Xue, Yu Chi, Hongzhen Li, Xinping Long and Chaoyang Zhang

J. Phys. Chem. C, 2017, 121, 12101
DOI: 10.1021/acs.jpcc.7b04518

Preparation, Characterization, Hirshfeld surface, Reduced density gradient analysis and transformation of 2,4-dinitroanisole with different crystal forms

Chen Cong, Liu Lulu, Su Hongping, Dai Si, Chen Jun, Chen Lizhen and Wang Jianlong

Journal of Molecular Structure, 2025, 1321, 140261
DOI: 10.1016/j.molstruc.2024.140261

Comparative Study of Various Pyrazole‐based Anions: A Promising Family of Ionic Derivatives as Insensitive Energetic Materials

Ping Yin, Lauren A. Mitchell, Damon A. Parrish and Jean'ne M. Shreeve

Chemistry An Asian Journal, 2017, 12, 378
DOI: 10.1002/asia.201601615

Challenging the Limits of Nitro Groups Associated with a Tetrazole Ring

Qiong Yu, Gregory H. Imler, Damon A. Parrish and Jean’ne M. Shreeve

Org. Lett., 2019, 21, 4684
DOI: 10.1021/acs.orglett.9b01565

Hirshfeld Surface Method and Its Application in Energetic Crystals

Shijie Li, Rupeng Bu, Rui-jun Gou and Chaoyang Zhang

Crystal Growth & Design, 2021, 21, 6619
DOI: 10.1021/acs.cgd.1c00961

Boosting Performance and Safety of Energetic Materials by Polymorphic Transition

Jie Tang, Guangbin Cheng, Shenghua Feng, Xiao Zhao, Zaichao Zhang, Xuehai Ju and Hongwei Yang

Crystal Growth & Design, 2019, 19, 4822
DOI: 10.1021/acs.cgd.9b00775

One-step synthesis to an insensitive explosive: N,N′-bis((1H-tetrazol-5-yl)methyl)nitramide (BTMNA)

Gang Zhao, Ping Yin, Richard Staples and Jean'ne M. Shreeve

Chemical Engineering Journal, 2021, 412, 128697
DOI: 10.1016/j.cej.2021.128697

High-Energy and Insensitive Tetrazole-Substituted 2,5-Dinitroiminooctahydroimidazo[4,5-d]imidazole: Synthesis, Characterization, and Energetic Properties

Zhenwei Liu, Chao Gao, Zhe Xing, Chengguo Sun, Chong Zhang, Yang Du and Bingcheng Hu

Crystal Growth & Design, 2022, 22, 6952
DOI: 10.1021/acs.cgd.2c00628

Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of N,N′-dinitroethylenediazanide: syntheses, crystal structures and thermal properties

Gerhard T. Roodt, Bhawna Uprety, Demetrius C. Levendis and Charmaine Arderne

Acta Crystallogr C Struct Chem, 2019, 75, 54
DOI: 10.1107/S2053229618017588

A method for fast safety screening of explosives in terms of crystal packing and molecular stability

Xiaohua Hu, Nana Chen and Weichen Li

J Mol Model, 2016, 22
DOI: 10.1007/s00894-016-3031-z

Monofluorinated Nitrogen Containing Heterocycles: Synthesis, Characterization and Fluorine Effect

Marco Reichel and Konstantin Karaghiosoff

Zeitschrift anorg allge chemie, 2020, 646, 1790
DOI: 10.1002/zaac.202000239

Heat-Induced Solid–Solid Phase Transformation of TKX-50

Zhipeng Lu, Xianggui Xue, Liya Meng, Qun Zeng, Yu Chi, Guijuan Fan, Hongzhen Li, Zengming Zhang, Fude Nie and Chaoyang Zhang

J. Phys. Chem. C, 2017, 121, 8262
DOI: 10.1021/acs.jpcc.7b00086

Facile synthesis of three low-sensitivity energetic materials based on pyrimidine backbones

Ying Li, Si-wei Song, Si-tong Chen, Kang-cai Wang and Qing-hua Zhang

Energetic Materials Frontiers, 2023, 4, 16
DOI: 10.1016/j.enmf.2023.03.005

Pyrazine-Based Iodine-Containing Biocidal Materials: Enhanced Energy Performance and Reduced Corrosion Risk

Jinjie Chang, Ying Zhang, Jun Li, Chunlin He and Siping Pang

ACS Appl. Mater. Interfaces, 2024
DOI: 10.1021/acsami.4c14222

Studies and Theoretical Optimization of CL‐20 : RDX Cocrystal

Jalla Venkata Viswanath, Balaiah Shanigaram, Panga Vijayadarshan, T. Venkaiah Chowadary, Amarnath Gupta, Kotamarthi Bhanuprakash, Siddapura Ramachandrappa Niranjana and Abbaraju Venkataraman

Propellants Explo Pyrotec, 2019, 44, 1570
DOI: 10.1002/prep.201900126

Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50

Jeremiah P. Tidey, Vladimir V. Zhurov, Christopher G. Gianopoulos, Elizabeth A. Zhurova and A. Alan Pinkerton

J. Phys. Chem. A, 2017, 121, 8962
DOI: 10.1021/acs.jpca.7b09367

n−π Stacking in Energetic Crystals

Shijie Li, Ruijun Gou and Chaoyang Zhang

Crystal Growth & Design, 2022, 22, 1991
DOI: 10.1021/acs.cgd.2c00034

Bis(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)methanone: An Applicable and Very Dense Green Oxidizer

Gang Zhao, Ping Yin, Dheeraj Kumar, Gregory H. Imler, Damon A. Parrish and Jean’ne M. Shreeve

J. Am. Chem. Soc., 2019, 141, 19581
DOI: 10.1021/jacs.9b11326

Correlation between Structure and Energetic Properties of Three Nitroaromatic Compounds: Bis(2,4-dinitrophenyl) Ether, Bis(2,4,6-trinitrophenyl) Ether, and Bis(2,4,6-trinitrophenyl) Thioether

Marco Reichel, Dominik Dosch, Thomas Klapötke and Konstantin Karaghiosoff

J. Am. Chem. Soc., 2019, 141, 19911
DOI: 10.1021/jacs.9b11086

Role of intermolecular interaction in crystal packing: A competition between halogen bond and electrostatic interaction

Peng-Yuan Chen, Lin Zhang, Shun-Guan Zhu and Guang-Bin Cheng

Journal of Molecular Structure, 2017, 1131, 250
DOI: 10.1016/j.molstruc.2016.11.060

Taming of 3,4-Di(nitramino)furazan

Yongxing Tang, Jiaheng Zhang, Lauren A. Mitchell, Damon A. Parrish and Jean’ne M. Shreeve

J. Am. Chem. Soc., 2015, 137, 15984
DOI: 10.1021/jacs.5b09831

1,2,4‐Oxadiazole‐Bridged Polynitropyrazole Energetic Materials with Enhanced Thermal Stability and Low Sensitivity

Tingou Yan, Guangbin Cheng and Hongwei Yang

ChemPlusChem, 2019, 84, 1567
DOI: 10.1002/cplu.201900454

From van der Waals interactions to structures and properties of 3,3′-dinitro-5,5′-bis-1,2,4-triazole-1,1′-diolate based energetic materials

B. Moses Abraham and G. Vaitheeswaran

Materials Chemistry and Physics, 2020, 240, 122175
DOI: 10.1016/j.matchemphys.2019.122175

Methylation of a triazole-fused framework to create novel insensitive energetic materials

Xinyu Nie, Caijin Lei, Hualin Xiong, Guangbin Cheng and Hongwei Yang

Energetic Materials Frontiers, 2020, 1, 165
DOI: 10.1016/j.enmf.2020.11.004

Spectroscopic, Structural and Energetic Properties of Pentanitroaniline

Thomas M. Klapötke, Burkhard Krumm and Christian Riedelsheimer

Propellants Explo Pyrotec, 2022, 47
DOI: 10.1002/prep.202100372

Amino‐group excites vitality in nitrogen‐rich energetic salts of triazolium

Junyan Li, Jinting Wu, Tingxing Zhao, Hongbo Li and Jianguo Zhang

Zeitschrift anorg allge chemie, 2023, 649
DOI: 10.1002/zaac.202200285

A Physical Organic Approach towards Statistical Modeling of Tetrazole and Azide Decomposition**

Jonas Rein, Jonathan M. Meinhardt, Julie L. Hofstra Wahlman, Matthew S. Sigman and Song Lin

Angewandte Chemie, 2023, 135
DOI: 10.1002/ange.202218213

Exploring the highly dense energetic materials via regiochemical modulation: A comparative study of two fluorodinitromethyl-functionalized herringbone trifuroxans

Lianjie Zhai, Fuqiang Bi, Yifen Luo, Lin Sun, Huan Huo, Jichuan Zhang, Junlin Zhang, Bozhou Wang and Sanping Chen

Chemical Engineering Journal, 2020, 391, 123573
DOI: 10.1016/j.cej.2019.123573

Relationship between the Molecular Structure and Stacking Mode: Characteristics of the D2h and D3h Molecules in Planar Layer-Stacked Crystals

Rupeng Bu, Guangrui Liu, Kai Zhong, Rong Wang, Ying Xiong and Chaoyang Zhang

Crystal Growth & Design, 2021, 21, 6847
DOI: 10.1021/acs.cgd.1c00769

N, N’-methylene-bridged nitroiodoazoles: Biocidal compounds with enhanced thermal stability

Jinjie Chang, Chunlin He, Siping Pang and Jean'ne M. Shreeve

Chemical Engineering Journal, 2022, 450, 137841
DOI: 10.1016/j.cej.2022.137841

A Comparative Theoretical Study of Picric Acid and Its Cocrystals

Peng-Yuan Chen, Lin Zhang, Shun-Guan Zhu and Guang-Bin Cheng

Crystals, 2015, 5, 346
DOI: 10.3390/cryst5030346

Investigation of Structure–Property Relationships of Three Nitroaromatic Compounds: 1-Fluoro-2,4,6-trinitrobenzene, 2,4,6-Trinitrophenyl Methanesulfonate, and 2,4,6-Trinitrobenzaldehyde

Dominik E. Dosch, Marco Reichel, Max Born, Thomas M. Klapötke and Konstantin Karaghiosoff

Crystal Growth & Design, 2021, 21, 243
DOI: 10.1021/acs.cgd.0c01049

A Physical Organic Approach towards Statistical Modeling of Tetrazole and Azide Decomposition**

Jonas Rein, Jonathan M. Meinhardt, Julie L. Hofstra Wahlman, Matthew S. Sigman and Song Lin

Angew Chem Int Ed, 2023, 62
DOI: 10.1002/anie.202218213

A Study of 3,5‐Dinitro‐1‐(2,4,6‐trinitrophenyl)‐1H‐pyrazol‐4‐amine (PicADNP) as a New High Energy Density Booster Explosive

Daniel Bauer, Dominik E. Dosch, Veronika Fuchs, Konstantin Karaghiosoff and Thomas M. Klapötke

Eur J Org Chem, 2021, 2021, 1964
DOI: 10.1002/ejoc.202100159

Polynitro-N-aryl-C-nitro-pyrazole/imidazole Derivatives: Thermally Stable-Insensitive Energetic Materials

Srinivas Vangara, Nagarjuna Kommu, Vikranth Thaltiri, M. Balaraju and Akhila K. Sahoo

J. Org. Chem., 2022, 87, 7202
DOI: 10.1021/acs.joc.2c00410

Fluorine Added to Lead the Way to Future Energetic Materials: 3,5-difluoro-2,4,6-trinitroaniline

Cong Li, Mingwei Liu, Taotao Li, Linjian Wang, Rui Zhang and Suming Jing

Journal of Energetic Materials, 2024, 42, 706
DOI: 10.1080/07370652.2022.2155729

Energetic Salts with π-Stacking and Hydrogen-Bonding Interactions Lead the Way to Future Energetic Materials

Jiaheng Zhang, Qinghua Zhang, Thao T. Vo, Damon A. Parrish and Jean’ne M. Shreeve

J. Am. Chem. Soc., 2015, 137, 1697
DOI: 10.1021/ja5126275

Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring

Lu Hu, Chunlin He, Gang Zhao, Gregory H. Imler, Damon A. Parrish and Jean’ne M. Shreeve

ACS Appl. Energy Mater., 2020, 3, 5510
DOI: 10.1021/acsaem.0c00487

Crystal Engineering for Creating Low Sensitivity and Highly Energetic Materials

Chaoyang Zhang, Fangbao Jiao and Hongzhen Li

Crystal Growth & Design, 2018, 18, 5713
DOI: 10.1021/acs.cgd.8b00929

Polyazido-methyl Derivatives of Prominent Oxadiazole and Isoxazole Scaffolds: Synthesis, Explosive Properties, and Evaluation

Lukas Bauer, Maximilian Benz, Thomas M. Klapötke, Tobias Lenz and Jörg Stierstorfer

J. Org. Chem., 2021, 86, 6371
DOI: 10.1021/acs.joc.1c00216

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

Rupeng Bu, Ying Xiong and Chaoyang Zhang

Crystal Growth & Design, 2020, 20, 2824
DOI: 10.1021/acs.cgd.0c00367

Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials

Jiaheng Zhang, Lauren A. Mitchell, Damon A. Parrish and Jean’ne M. Shreeve

J. Am. Chem. Soc., 2015, 137, 10532
DOI: 10.1021/jacs.5b07852

Machine-learning reveals the virtual screening strategies of solid hydrogen-bonded oligomeric assemblies for thermo-responsive applications

Xin Huang, Dong Lv, Chaoyang Zhang and Xi Yao

Chemical Engineering Journal, 2023, 456, 141073
DOI: 10.1016/j.cej.2022.141073

Construction of Polynitro Compounds as High-Performance Oxidizers via a Two-Step Nitration of Various Functional Groups

Gang Zhao, Dheeraj Kumar, Ping Yin, Chunlin He, Gregory H. Imler, Damon A. Parrish and Jean’ne M. Shreeve

Org. Lett., 2019, 21, 1073
DOI: 10.1021/acs.orglett.8b04114

Characterization and properties of a novel energetic Co-crystal formed between 2,4,6-Trinitrophenol and 9-Bromoanthracene

Sinecan I. Bozkuş, Karl S. Hope, Bayram Yüksel, Nurrunnisa Atҫeken, Hasan Nazır, Orhan Atakol and Nilgün Şen

Journal of Molecular Structure, 2019, 1192, 145
DOI: 10.1016/j.molstruc.2019.04.109

Metal-Determined Explosive Characteristics of M(NO3)2(1-AT)x of Thermal and Laser Ignition (M2+ = Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+; x = 2 or 3)

Shu Bu, Jianguo Zhang and Kun Wang

Inorg. Chem., 2024, 63, 3212
DOI: 10.1021/acs.inorgchem.3c03076

Understanding Explosive Sensitivity with Effective Trigger Linkage Kinetics

Marc J. Cawkwell, Jack Davis, Nicholas Lease, Frank W. Marrs, Alexandra Burch, Suyana Ferreira and Virginia W. Manner

ACS Phys. Chem Au, 2022, 2, 448
DOI: 10.1021/acsphyschemau.2c00022

Taming of Triazole, Tetrazole, and Azido Groups: Nitrogen-Rich Energetic Materials with High Thermal Stabilities

Yuhuang Peng, Qiong Yu and Wenbin Yi

ACS Appl. Mater. Interfaces, 2024, 16, 63419
DOI: 10.1021/acsami.4c09261

Crystal Packing of Impact-Sensitive High-Energy Explosives

Yu Ma, Anbang Zhang, Xianggui Xue, Daojian Jiang, Yuanqiang Zhu and Chaoyang Zhang

Crystal Growth & Design, 2014, 14, 6101
DOI: 10.1021/cg501267f

1,3,5-Triiodo-2,4,6-trinitrobenzene (TITNB) from benzene: Balancing performance and high thermal stability of functional energetic materials

Gang Zhao, Chunlin He, Dheeraj Kumar, Joseph P. Hooper, Gregory H. Imler, Damon A. Parrish and Jean'ne M. Shreeve

Chemical Engineering Journal, 2019, 378, 122119
DOI: 10.1016/j.cej.2019.122119

2-(1,2,4-triazole-5-yl)-1,3,4-oxadiazole as a novel building block for energetic materials

Zheting Dong, Zhengqiang Wu, Qiang Zhang, Yuangang Xu and Guo-Ping Lu

Front. Chem., 2022, 10
DOI: 10.3389/fchem.2022.996812

Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials

Lu Hu, Ping Yin, Gang Zhao, Chunlin He, Gregory H. Imler, Damon A. Parrish, Haixiang Gao and Jean’ne M. Shreeve

J. Am. Chem. Soc., 2018, 140, 15001
DOI: 10.1021/jacs.8b09519

Functional energetic biocides by coupling of energetic and biocidal polyiodo building blocks

Gang Zhao, Chunlin He, Dheeraj Kumar, Joseph P. Hooper, Gregory H. Imler, Damon A. Parrish and Jean'ne M. Shreeve

Chemical Engineering Journal, 2019, 368, 244
DOI: 10.1016/j.cej.2019.02.192

Polyiodo Azole-Based Metal–Organic Framework Energetic Biocidal Material for Synergetic Sterilization Applications

Jinjie Chang, Jin Xiong, Hongfu Jia, Chunlin He, Siping Pang and Jean’ne M. Shreeve

ACS Appl. Mater. Interfaces, 2023, 15, 45668
DOI: 10.1021/acsami.3c10026

A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)

Gang Zhao, Dheeraj Kumar, Lu Hu and Jean’ne M. Shreeve

ACS Appl. Energy Mater., 2019, 2, 6919
DOI: 10.1021/acsaem.9b01447