Article
Chemistry, Multidisciplinary
Can-Ming Chen, Ye-Nan Yang, Yin-Zhu Kong, Bo-Han Zhu, Peng-Cheng Qian, Bo Zhou, Long-Wu Ye
Summary: One-carbon homologation reactions based on one-carbon insertion into the N-O bond of heterocycles have attracted significant attention. However, the use of hazardous and difficult-to-access diazo compounds as precursors and the absence of relevant asymmetric catalysis have posed challenges. In this study, a copper-catalyzed intermolecular formal (5 + 1) annulation of 1,5-diynes with 1,2,5-oxadiazoles was demonstrated to achieve one-carbon insertion into the heterocyclic N-O bond via a non-diazo approach. This method offers practical and efficient synthesis of valuable pyrrole-substituted oxadiazines under mild reaction conditions, and the possibility of asymmetric annulation also arises.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Markus Roesch, Michael S. Gruhne, Marcus Lommel, Simon M. J. Endrass, Joerg Stierstorfer
Summary: In this study, nitrogen-rich endothermic ligands 1vinyl-5H-tetrazole (1-VTZ, 1) and 1-allyl-5H-tetrazole (1-ATZ, 2) were used to form energetic coordination compounds (ECCs) with 3d metal ions (Mn2+, Fe2+, Cu2+, Zn2+, Co2+, Ni2+). The performance and sensitivity of the complexes were discussed by varying the ligands and chain length. The compounds were characterized and evaluated for their energetic performances using various analytical methods and sensitivity tests.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Lingfeng Zhang, Yu Wang, Yefeng Wang, Shuai Liu, Na Zhang, Mingmin Yang, Haixia Ma, Zhaoqi Guo
Summary: This study designs and synthesizes a series of high-energy salts compounds without heavy metal ions and azide groups. The molecular structures and stability of the compounds are confirmed through single-crystal X-ray diffraction and intermolecular interaction analysis. Furthermore, the thermal stability, energetic properties, and electrical initiation properties of the compounds are investigated, suggesting their potential as primary explosives.
Article
Chemistry, Multidisciplinary
Caijin Lei, Chuan Xiao, Jie Tang, Hongwei Yang, Qinghua Zhang, Guangbin Cheng
Summary: This work presents the successful synthesis of a series of fused energetic compounds using the strategy of structural modification. The hydroxylamine-substituted compound exhibits high density, high detonation performance, and low sensitivities as a secondary explosive, surpassing RDX in terms of mechanical sensitivities.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Organic
Parasar Kumar, Vikas D. Ghule, Srinivas Dharavath
Summary: Various energetic salts were obtained from inexpensive starting materials via a simple and efficient synthetic route. These compounds showed excellent detonation properties, high nitrogen content, high positive heats of formation, good thermostability, and remarkable insensitivity.
Article
Chemistry, Inorganic & Nuclear
Sohan Lal, Richard J. Staples, Jean'ne M. Shreeve
Summary: A series of phenylene-bridged isoxazole and tetrazole-1-ol based green energetic materials were successfully synthesized with good to excellent yields. The structures of the newly synthesized compounds were confirmed through spectroscopic techniques, elemental analysis, and single-crystal X-ray analysis. The significance of this work lies in the good thermal stability (167-340 degrees C) and acceptable densities (1.51 g cm(-3) to 1.82 g cm(-3)) exhibited by all the newly synthesized compounds. Detailed computational analysis revealed that these compounds possess excellent energetic properties (propulsive and ballistic) along with impressive thermal and mechanical stabilities, making them promising candidates for solid propulsion systems. Compounds 5, 12, and 14 are identified as superior candidates for melt-castable energetic materials.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Moritz Kofen, Marcus Lommel, Maximilian H. H. Wurzenberger, Thomas M. Klapotke, Joerg Stierstorfer
Summary: Highly energetic 1-(azidomethyl)-5H-tetrazole (AzMT, 3) has been successfully synthesized and characterized. The investigation of its properties and coordination behavior as a ligand sheds light on the potential application of AzMT and its coordination compounds as primary explosives.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Organic
Emmanouil Broumidis, Christopher G. Thomson, Brendan Gallagher, Lia Sotorrios, Kenneth G. Mckendrick, Stuart A. Macgregor, Martin J. Paterson, Janet E. Lovett, Gareth O. Lloyd, Georgina M. Rosair, Andreas S. Kalogirou, Panayiotis A. Koutentis, Filipe Vilela
Summary: This study discovered that 1,2,6-thiadiazines can be converted into 1,2,5-thiadiazole 1-oxides using visible light and oxygen under ambient conditions, which was previously difficult to achieve. Experimental and theoretical studies revealed that 1,2,6-thiadiazines act as triplet photosensitizers and undergo a selective cycloaddition reaction to form an endoperoxide.
Article
Engineering, Environmental
Yaqun Dong, Yuji Liu, Wei Huang, Yongxing Tang
Summary: In this study, two isomeric compounds were synthesized using a new method, and their energetic properties were examined. The results showed that one of the compounds exhibited better detonation performance, higher thermal stability, and lower mechanical sensitivities, suggesting its potential as an energetic material.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Abhishek Kumar Yadav, Vikas D. Ghule, Srinivas Dharavath
Summary: A series of nitrogen-rich salts with excellent thermal stability and detonation performance were successfully synthesized in this study, showing superior energetic performance compared to TNT and TATB, and have the potential to serve as energetic materials.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Biochemistry & Molecular Biology
Kirill V. Strizhenko, Anastasia D. Smirnova, Sergei A. Filatov, Valery P. Sinditskii, Adam I. Stash, Kyrill Yu. Suponitsky, Konstantin A. Monogarov, Vitaly G. Kiselev, Aleksei B. Sheremetev
Summary: A convenient method for accessing perchlorates was developed, and the compounds were characterized and tested for their performance. The results showed that these salts exhibit excellent combustion behavior and have potential as ingredients for energetic materials.
Article
Chemistry, Multidisciplinary
Ya Wang, Shiqiang Mu, Xin Li, Qiuling Song
Summary: A facile synthesis method for 1,3,4-oxadiazoles and 1,3,4-oxadiazoles-d5 via [4 + 1] cyclization of ClCF2COONa with non-amine compounds containing amino groups is developed. This is the first time halofluorinated compounds are used as C1 synthon to construct deuterated nitrogen-heterocyclic compounds. The current protocol features simple operation, readily accessible raw materials, wide substrate scope, and valuable products.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Guofeng Zhang, Chuan Xiao, Zhen Dong, Meifang Lv, Yaxin Liu, Xue Hao, Yongbin Zou, Huaqi Zhang, Zhiwen Ye
Summary: A series of novel energetic materials based on HNANTT with excellent physicochemical and energetic properties were obtained. By modifying the HNANTT group, different types of ECPs, energetic salts, and an energetic cocrystal were prepared and characterized. Among them, NANTT-ECP-8 showed the highest density and thermal stability, NANTT-12 had the highest detonation performance, and NANTT-13 exhibited the best comprehensive performance.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Mahmoud Nasrollahzadeh, Zahra Nezafat, Nayyereh Sadat Soheili Bidgoli, Nasrin Shafiei
Summary: This study primarily focuses on the fabrication methods of tetrazoles and preparation of tetrazole based compounds and their utilizations in environmental, catalytic, and energetic applications, emphasizing their performance, reusability, and stability.
MOLECULAR CATALYSIS
(2021)
Article
Engineering, Multidisciplinary
Saira Manzoor, Qamar-un-nisa Tariq, Xin Yin, Jian-Guo Zhang
Summary: In recent years, heterocyclic compounds such as azoles have been developed to meet the challenging requirements of high-performing explosives in both military and civilian applications. These compounds, with energetic functional groups such as nitro, nitrato, nitrimino, and nitramino, demonstrate advanced energetic performance and have the potential to replace traditional explosives.
DEFENCE TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Maximilian Benz, Thomas M. Klapoetke, Joerg Stierstorfer
Summary: In this study, a compound that combines both azide and nitrimino substituents directly attached to a tetrazole scaffold was successfully synthesized. The synthesis process and the properties of the compound were thoroughly analyzed and characterized. The sensitivity and detonation parameters of the compound were calculated and measured.
Article
Chemistry, Inorganic & Nuclear
Moritz Kofen, Vanessa Braun, Simon M. J. Endrass, Thomas M. Klapotke, Joerg Stierstorfer
Summary: In this study, the highly sensitive 1-(nitratomethyl)-5H-tetrazole (1-NAMT) was synthesized for the first time and thoroughly analyzed. The formation of energetic coordination compounds (ECCs) with nitroaromatic anions was found to be a suitable strategy to improve the thermal stability of 1-NAMT.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Simon M. J. Endrass, Andreas Neuer, Thomas M. Klapoetke, Joerg Stierstorfer
Summary: In this study, 5-Methyl-2,4,6-trinitrobenzene-1,3-diol was synthesized and its vapor pressure was analyzed using the transpiration method. Several energetic coordination compounds of its respective anion were prepared and compared with structurally close styphnate complexes to understand the physiochemical trends. The synthesized compounds were further analyzed by various methods and tested for their sensitivities towards mechanical stimuli and flame behavior.
Article
Chemistry, Multidisciplinary
Maximilian Benz, Thomas M. Klapoetke, Niklas Koelbl, Jürgen Kuch, Tobias Lenz, Ersel Parigi, Jörg Stierstorfer
Summary: In this study, the known material pentaerythritol tetranitrate (PETN) was modified by introducing nitramine, ionic nitramine, amine, ionic amine, and tetrazole functionalities. The obtained compounds, which are structurally similar to PETN, show potential to replace toxic TNT based on their sensitivity, thermal behavior, and performance.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Organic
Veronika Fuchs, Konstantin Karaghiosoff, Thomas M. Klapoetke, Joerg Stierstorfer, Michael Voggenreiter
Summary: By introducing azide and tetrazole functionalities to an oxetane ring, energetic oxetanes with higher nitrogen contents than previously reported were synthesized. The synthesized derivatives were characterized through various methods and their crystal structures were determined. Their sensitivities and energetic properties were also evaluated.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Markus Roesch, Michael S. Gruhne, Marcus Lommel, Simon M. J. Endrass, Joerg Stierstorfer
Summary: In this study, nitrogen-rich endothermic ligands 1vinyl-5H-tetrazole (1-VTZ, 1) and 1-allyl-5H-tetrazole (1-ATZ, 2) were used to form energetic coordination compounds (ECCs) with 3d metal ions (Mn2+, Fe2+, Cu2+, Zn2+, Co2+, Ni2+). The performance and sensitivity of the complexes were discussed by varying the ligands and chain length. The compounds were characterized and evaluated for their energetic performances using various analytical methods and sensitivity tests.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Applied
Thomas M. Klapoetke, Guillaume Lemarchand, Tobias Lenz, Moritz Muehlemann, Joerg Stierstorfer, Fabian Venetz, Ralf Weber, Jens Wutke
Summary: The sensitivity of pentaerythritol tetranitrate (PETN) during the manufacturing process is investigated. Limited literature is available about the explosive during production, making it necessary to have a deeper understanding of safety parameters for optimization or changes in the process. Thus, a small-scale laboratory reactor is used to simulate the industrial process. Impact and friction sensitivities of emergency drowned, spent acid wet, and acid washed PETN are examined, along with samples taken from the filter of the SSE production. This data will enhance handling safety and plant design.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Organic
Elena Reinhardt, Simon Thamm, Joerg Stierstorfer, Thomas M. Klapoetke
Summary: In this study, six different energetic salts and three new derivatives of methylene bridged nitropyrazoles were synthesized and extensively characterized. The compounds were evaluated for their sensitivities and energetic properties. The effect of introducing methylamino and methylnitramino groups in alkyl-bridged nitropyrazole system on their properties was investigated. Additionally, the suitability of an azido compound as a potential metal-free primary explosive was examined.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Applied
Maximilian Benz, Arthur Delage, Thomas M. Klapoetke, Moritz Kofen, Joerg Stierstorfer
Summary: The research project aimed to identify a literature known explosive for future use as a melt-cast explosive. The substance should meet all industrially relevant requirements in addition to being theoretically suitable as a substitute. Extensive literature research was conducted to identify suitable candidates, followed by resynthesis and verification of key properties for the three most promising substances. If all criteria are met, synthesis optimization and preindustrial upscaling should be conducted.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Applied
Thomas M. Klapoetke, Jasmin T. Lechner, Leon W. B. Stanislawski, Joerg Stierstorfer, Moritz Muhlemann, Guillaume Lemarchand
Summary: In this study, the synthesis of RDX via the intermediate TRAT was investigated as a possible alternative industrial production method. Feasible nitration methods from TRAT to RDX were also explored. The suitability for large-scale production, comparison of established methods, and feasibility of a new flow process were discussed.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Multidisciplinary
Jasmin T. Lechner, Christian Riedelsheimer, Simon M. J. Endrass, Nina M. Gerold, Jennifer Heidrich, Burkhard Krumm, Joerg Stierstorfer, Thomas M. Klapoetke
Summary: Numerous nitramine bridged compounds with promising properties have been identified in the field of energetic materials. This study synthesized and characterized several new energetic materials and compared their properties to the traditional material RDX. The thermal behavior and sensitivities of these compounds were also investigated.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Organic
Maximilian Benz, Sabrina Doerrich, Thomas M. Klapoetke, Tobias Lenz, Mohamed Mouzayek, Joerg Stierstorfer
Summary: A bishydroxymethyl-1,2,3-triazole compound was synthesized through a [3+2]-cycloaddition reaction with selective nitration. The obtained 2-nitrotriazole exhibited high density (1.764g cm(-3)) and detonation velocity (8590 m s(-1)), and could be classified as an oxidizer with an oxygen balance towards CO of 12%. Additional rare representatives of 2-nitro-1,2,3-triazoles were also synthesized and characterized using N-15 NMR spectroscopy, crystal structure analysis, and elemental analysis.
Article
Chemistry, Physical
Maximilian Benz, Thomas M. Klapoetke, Joerg Stierstorfer, Michael Voggenreiter
Summary: 1-Amino-5-nitriminotetrazole has been synthesized for the first time via acid-catalyzed protection and aprotic nitration, and its salts have been synthesized by addition of corresponding bases. Most of the nitrogen-rich salts exhibit insane explosive properties, competing with the most powerful non-nuclear explosives. The introduction of a fused triazolium cation results in a promising secondary explosive with high performance, low sensitivity, and high thermal stability. Metal salts (K and Ag) are successfully used to initiate pentaerythritol tetranitrate using a classical detonator setup.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Moritz Kofen, Alexander G. Harter, Thomas M. Klopotke, Jorg Stierstorfer
Summary: This study focused on the synthesis and characterization of energetic coordination compounds using 1,5-dimethyltetrazole as a ligand. The compounds were obtained by reacting 1,5-dimethyltetrazole with different metal cations and anions. The resulting complexes were investigated for their physicochemical properties and sensitivities.
ENERGETIC MATERIALS FRONTIERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Josh Bauer, Maximilian Benz, Thomas M. Klapoetke, Joerg Stierstorfer
Summary: This article describes the synthesis and characterization of 1,5-diaminotetrazole and 2,5-diaminotetrazole, as well as the tuning and analysis of their derivatives. 2,5-Diaminotetrazole was successfully synthesized through purification steps and extensively characterized through various experimental techniques.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Zihan Ma, Lishuang Wang, Tingting Chen, Guangning Wang
Summary: In this study, two kinds of 3D self-doped (N/O) lilac-based and coriander-based porous carbons with high performance have been prepared.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Qin Wang, Yun-Fan Yan, Jiao-Lin Weng, Ying Huang, Fu Yang, Hao-Hui Xie, Fei Tan, Fa-Kun Zheng, Jian-Gang Xu
Summary: Balancing energy and mechanical sensitivities is a challenging issue in the field of energetic materials. This study constructed a 3D energetic metal-organic framework with nitrogen-rich ligand and NO3- anions. The framework demonstrated high stability, energy density, and excellent mechanical sensitivities, making it a potential insensitive energetic material.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Marrium Saeed, Urooj Kamran, Amina Khan, Md Irfanul Haque Siddiqui, Hasan Jamal, Haq Nawaz Bhatti
Summary: In this study, magnesium-aluminum layered double hydroxides (Mg-Al-LDH) were synthesized using an environmentally friendly hydrothermal technique for adsorbing the dye reactive green 5 (RG5). To improve the adsorption capability, composites were prepared by combining Mg-Al-LDH with low-cost Mangifera indica stone biomass (MISB). The results showed that the composites had high adsorption capacities for RG5 dye and could be regenerated.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Xuanlin Zhan, Xiaojie Li, Yunyan Zeng, Siyan Jiang, Chao Pan, Shiyu Pan, Jiaquan Huang, Heqian Zhang, Zhiwei Qin
Summary: This study reports on the potential prospects of natural products derived from the rhizosphere for the development of antibiotics and herbicides, as well as the advancements in cultivating a mutant strain that produces a substantial quantity of lydicamycins, a potent family for herbicide development.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Jie Zhu, Jiangtao Yu, Linhua Zhu, Xiaoxiao Yu, Jixing Liu, Yanhong Chao, Jingzhou Yin, Peiwen Wu, Jian Liu, Wenshuai Zhu
Summary: This study successfully demonstrates the 3D printing of attapulgite monoliths and investigates the influence of thermal treatment on their properties. The thermal treated monoliths show superior catalytic performance at low temperatures.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Yanzhu Ye, Yixiang Ye, Jiannan Cai, Zhongshui Li, Shen Lin
Summary: In this paper, a novel Pt/CoP/C photo-electro synergistic catalyst was successfully synthesized and its performance was investigated. The catalyst exhibited excellent photo-electro catalytic performance, with significantly higher hydrogen production compared to a commercial catalyst. The introduction of cobalt phosphide and the existence of Co3O4 were identified as key factors for enhancing the catalytic activity.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Nurul Hidayah Abu Bakar, Wan Norfazilah Wan Ismail, Hartina Mohd Yusop, Noreen Farzuhana Mohd Zulkifli
Summary: Hydrophobic coatings inspired by the lotus effect have gained popularity for their ability to solve various problems. The sol-gel method, utilizing silica, alumina, and titania, is explored as an environmentally friendly approach to produce water-based hydrophobic coatings. This study focuses on producing water-based hydrophobic coatings for cotton and polyester fabrics using a one-step sol-gel method. The coated fabrics exhibited improved hydrophobic properties, altered surface morphologies, and lower air permeability compared to uncoated fabrics. TEOS-PDMS coating provides a promising approach for enhancing the hydrophobic and surface properties of cotton and polyester fabrics.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Nikita Belko, Hanna Maltanava, Anatol Lugovski, Polina Shabunya, Sviatlana Fatykhava, Evgeny Bondarenko, Pavel Chulkin, Sergey Poznyak, Michael Samtsov
Summary: This study investigates the difference in electrochemical behavior between rhodamine B hydrazide and rhodamine B acylhydrazone, and finds that rhodamine B acylhydrazone exhibits higher reversibility in electrooxidation. These results can be applied for developing new sensors with desired electrochemical properties.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Showket Ahmad Bhat, Mohd Ikram
Summary: In this study, 0-3 particulate multiferroic composites were synthesized and characterized. The composites exhibited excellent ferroelectric and ferromagnetic properties, as well as high piezoelectric strain and magnetoelectric coupling effects.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Carla Gomes, Mariana Costa, Susana M. M. Lopes, Bernardo Albuquerque Nogueira, Rui Fausto, Jose A. Paixao, Teresa M. V. D. e Melo, Luisa M. D. R. S. Martins, Marta Pineiro
Summary: The development of sustainable processes requires the integration of green chemistry principles. In this study, a solvent-free synthesis method was developed to prepare new copper catalysts, which efficiently catalyze cycloaddition reactions under solvent-free mechanochemical conditions. Through this process, the principles of atom economy, reduction of solvents and auxiliaries, design for energy efficiency, and reduction of derivatives and catalysis are combined.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Zhihua Liu, Jinzhe Li, Jianguo Zhou
Summary: This study demonstrates the enhancement of photoelectrochemical activity of BiFeO3 photoelectrodes through ion modification, which increases visible light absorption and active area, leading to improved PEC water splitting performance.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Yisheng Zhang, Wensong Li, Jing Li, Fang Li, Wei Xue, Xinqiang Zhao, Yanji Wang
Summary: Pt/C and SO42-/ZrO2 were used as catalysts for the synthesis of p-aminophenol through the catalytic transfer hydrogenation of nitrobenzene in water with formic acid as the hydrogen source. The optimal Pt loading for PAP selectivity was found to be 1 wt%. The presence of different valence states of Pt affected both the nitrobenzene hydrogenation and formic acid decomposition. Among different solid acid catalysts tested, SO42-/ZrO2 exhibited the highest catalytic activity for p-aminophenol formation. Under the optimized reaction conditions, the conversion of nitrobenzene reached 80.0%, with a selectivity of 47.6% for p-aminophenol.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Pradyota Kumar Behera, Papita Behera, Amlan Swain, Santosh Kumar Sahu, Ajeena Sahoo, Laxmidhar Rout
Summary: We have developed a simple and direct method for the synthesis of diaryl ether using an oxygen bridged bimetallic CuMoO4 nanocatalyst under mild reaction conditions. The catalyst exhibited tolerance towards a wide range of substrates with various functional groups. It is efficient and recyclable. This methodology allows easy access to nitrofen derivatives (herbicides) from unactivated 2,4-dichlorophenol, which are important for agriculture and pharmaceuticals.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Yihua Fu, Yan Zhang, Changwei Hu, Zhishan Su
Summary: The mechanism of the reaction between CO2 and styrene oxide for cyclic carbonate was revealed using density functional theory calculations. The noncatalytic reaction occurred via a concerted mechanism, while in the presence of guanidine and tetrabutylammonium iodide (TBAI) co-catalysts, the epoxide ring-opening by nucleophilic attack of an iodide anion was predicted to be the rate-determining step. Guanidine acted as the H-bond donor to activate styrene oxide, facilitating the reaction with a lower activation barrier.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Saikat Khamarui, Sirshendu Ghosh
Summary: Copper nanorods (Cu-NRs) exhibit significant plasmonic behavior and can act as efficient catalysts in redox processes and coupling. A benign decarboxylative approach, utilizing localized surface plasmon resonance (LSPR) assisted catalysis with Cu-NRs, has been developed for the production of alkane analogues from alkyl carboxylic acids under visible light. The catalyst shows a broad substrate scope and high functional group tolerance, without the need for an external oxidant or proton source. A plausible mechanism for this recyclable nano-catalyst has also been proposed based on control experiments.
NEW JOURNAL OF CHEMISTRY
(2024)
