Article
Chemistry, Inorganic & Nuclear
Shubhajit Das, Swapan K. Pati
Summary: This study investigates a family of intramolecular stannylium/nitrogen FLPs for catalytic hydrogenation of organic compounds with unsaturated functional groups. The activation of H-2 by these FLPs proceeds through the cooperative action of the Sn and N centers, allowing for catalytic hydrogenation of organic substrates. The reactivity of these FLPs can be tuned by varying substituents and counter anions on the Sn center.
Article
Engineering, Environmental
Zhenbo Guo, Ming Cheng, Wenqiang Ren, Zhiqiang Wang, Minghui Zhang
Summary: In this study, activated carbon treated in N2 atmosphere was used as a non-metallic catalyst for the reduction of Cr (VI) to Cr (III) using HCOOH as the reducing agent at room temperature. The improved catalytic performance was attributed to the enhanced graphitization degree and basic sites, which facilitated electron transfer and activation of reactant. The reaction rate constant observed for C-800 was significantly higher than that for C-0 and Pd/C catalysts. Furthermore, C-800 exhibited good recycle performance with no loss of activity after 5 cycles.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Organic
Hao Wang, Qi Wu, Jian-Dong Zhang, Hai-Yan Li, Hong-Xi Li
Summary: A photocatalyst- and transition-metal-free visible-light-induced cyclization of ortho-halothiobenzanilides has been developed, leading to the efficient and selective formation of 2-aryl benzothiazoles. This photocyclization is highly tolerant to various functional groups, suitable for the synthesis of 2-alkyl benzothiazoles, and easy to scale up for gram-scale reactions.
Article
Chemistry, Physical
Chuanyi Jia, Qian Wang, Jing Yang, Ke Ye, Xiyu Li, Wenhui Zhong, Hujun Shen, Edward Sharman, Yi Luo, Jun Jiang
Summary: Dual-metal-site catalysts (DMSCs) have great potential in heterogeneous catalysis, but the underlying relationships connecting their dual-site synergistic effects on catalytic performance remain unclear. This comprehensive first-principles study reveals that the N-3-coordinated-adjacent dual-metal model exhibits stronger synergistic and dynamic effects, leading to higher catalytic activity. Fe-containing combinations are generally more active, with Fe-Ni combination identified as the most promising candidate for CO oxidation. Electronic/spectral descriptors related to charge transfer, average charge on metals, average d-orbital center on metals, and stretching vibrational frequency of reactants are found to reflect the binding ability/stability of O-2 as lone reactant. The transferability of these descriptors to multimolecular catalysis is confirmed, providing potential design strategies for high-efficiency DMSCs.
Article
Chemistry, Multidisciplinary
Zhenmei Huang, Bowen Lei, Dezhi Yang, Dongge Ma, Zhengyang Bin, Jingsong You
Summary: The development of a medium ring-lock strategy for TADF emitters has been introduced to enhance the efficiency of OLEDs. The electron-deficient heptagonal diimide lock improves electron-withdrawing ability and increases the photoluminescence quantum yield. This modified intramolecular-lock strategy enables the assembly of high-performance non-doped OLEDs.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Chanhyun Jung, Siyuan Li, Kwanghee Lee, Mayavan Viji, Heesoon Lee, Soonsil Hyun, Kiho Lee, Young Kee Kang, Chhabi Lal Chaudhary, Jae-Kyung Jung
Summary: In this study, solvent-directed intramolecular hydrofunctionalization of readily available o-alkynoylphenols was successfully achieved under reagent-free conditions. The strategy is remarkable for its regioselectivity, atom economy, and efficiency in terms of atom, carbon, and reaction mass.
Article
Chemistry, Physical
Ravindra B. Weerasooriya, Jonathan L. Gesiorski, Abdulaziz Alherz, Stefan Ilic, George N. Hargenrader, Charles B. Musgrave, Ksenija D. Glusac
Summary: Even with the discovery of an ideal hydride donor, the conversion of CO2 to formate still faces sluggish kinetics. This suggests that the conventional hydride transfer mechanism may not be suitable for solar conversion of CO2 to formate.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Analytical
Nidhi Agnihotri, Monoj Kumar Mondal
Summary: This study focuses on the in-situ catalytic pyrolysis of Melia azedarach sawdust with copper (Cu) impregnation. The degradation performance of Cu impregnated sawdust was examined and compared with native sawdust. Optimal process parameters for pyrolysis of native sawdust were determined, and the effect of temperature and catalyst to biomass ratio was studied for Cu impregnated sawdust. The catalytic effect of Cu on the pyrolysis products was analyzed and characterized. This study is valuable for future research on utilizing heavy metal contaminated biomass.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Chemistry, Multidisciplinary
Gabriel Durin, Albane Fontaine, Jean-Claude Berthet, Emmanuel Nicolas, Pierre Thuery, Thibault Cantat
Summary: The metal-free catalytic hydrogenolysis of silyl triflates and halides to hydrosilanes is achieved using arylborane Lewis acids as catalysts. The catalyst acts as a Frustrated Lewis Pair and is able to split H-2 and generate a boron hydride intermediate capable of reducing (pseudo)halosilanes. This metal-free organocatalytic system competes with metal-based catalysts and enables the formation of a variety of hydrosilanes at room temperature in high yields under low hydrogen pressure.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Review
Chemistry, Multidisciplinary
Sheng-Li Hou, Jie Dong, Xin-Yuan Zhao, Xiang-Shuai Li, Fang-Yu Ren, Jian Zhao, Bin Zhao
Summary: Thermocatalysis of CO2 into valuable products can mitigate global warming and environmental problems. Noble-metal-free metal-organic frameworks (MOFs) are promising catalysts for CO2 thermocatalysis. This review focuses on various CO2 conversion reactions catalyzed by noble-metal-free MOFs and discusses the methods to improve their catalytic efficiency. It also highlights the advantages of using these catalysts and provides future perspectives on the research directions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Bouhadjar Boukoussa, Khoukha Rachida Cherdouane, Rajaa Zegai, Adel Mokhtar, Mohammed Hachemaoui, Ismail Issam, Jibran Iqbal, Shashikant P. Patole, Fatima Zohra Zeggai, Rachida Hamacha, Mohamed Abboud
Summary: This work focuses on the preparation of inexpensive composite materials based on activated carbon-containing metallic nanoparticles MNPs (M = Cu, Ag, Fe). Different samples were tested as catalysts for the catalytic reduction of organic pollutants in the presence of NaBH4. The AC-Cu material exhibited good dispersion of CuNPs and showed the highest efficiency among the tested catalysts.
SURFACES AND INTERFACES
(2024)
Review
Chemistry, Multidisciplinary
Huiqiao Wang, Yongjun Zheng, Hucheng Xu, Jiaru Zou, Congrui Jin
Summary: This article summarizes the advances in the field of intramolecular electrochemical C-H aminations since 2019, with a focus on reaction design and mechanistic insight. The challenges and future developments in this field are also discussed.
FRONTIERS IN CHEMISTRY
(2022)
Article
Green & Sustainable Science & Technology
Hua-Chen Wu, Young-Kwon Park, Jia-Yin Lin, Bui Xuan Thanh, Attasak Jaree, Wei-Hsin Chen, Chia-Hua Lin, Siming You, Kun-Yi Andrew Lin
Summary: This study proposes activated carbon fiber (ACF) as a highly effective catalyst for the conversion of vanillic alcohol (VLA) to vanillic aldehyde (VAE) without using metals and oxidizing agents. The results show that reactive oxygen species derived from ACF-mediated aerobic reactions are responsible for the oxidation of VLA to VAE.
JOURNAL OF CLEANER PRODUCTION
(2022)
Review
Chemistry, Organic
Chung Whan Lee, Haye Min Ko
Summary: Amines play a crucial role in organic synthesis, especially in the synthesis of natural products, pharmaceutical molecules, and agrochemicals. Among various methods to obtain amines, amide reduction is considered as a facile and efficient strategy, but it is problematic due to the use of reactive reductants and rare transition metal catalysts under harsh conditions. This review highlights recent advances in metal-free catalytic reduction of amides to amines, providing a solution to these challenges.
ASIAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Wenhao Shao, Jie Hao, Hanjie Jiang, Paul M. Zimmerman, Jinsang Kim
Summary: Metal-free organic triplet emitters, with tunable emission and responsive to environmental stimuli, have great potential in solid-state lighting, sensors, and anti-counterfeiting systems. A novel excited-state intramolecular proton transfer system is proposed, showing simultaneous activation of thermally activated delayed fluorescence and room-temperature phosphorescence from both keto and enol tautomers.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Aaron J. Teator, Huiling Shao, Gang Lu, Peng Liu, Christopher W. Bielawski
Article
Chemistry, Physical
Xiangying Lv, Gang Lu, Zhi-Qiao Wang, Zhong-Ning Xu, Guo-Cong Guo
Article
Chemistry, Physical
Xiangying Lv, Yan-Bo Wu, Gang Lu
CATALYSIS SCIENCE & TECHNOLOGY
(2017)
Article
Multidisciplinary Sciences
Gang Wang, Xiaodong Xin, Zehua Wang, Gang Lu, Yudao Ma, Lei Liu
NATURE COMMUNICATIONS
(2019)
Article
Multidisciplinary Sciences
Fuyuan Li, Dong Tian, Yifan Fan, Richmond Lee, Gang Lu, Yanli Yin, Baokun Qiao, Xiaowei Zhao, Ziwei Xiao, Zhiyong Jiang
NATURE COMMUNICATIONS
(2019)
Article
Nanoscience & Nanotechnology
Hai-Cai Huang, Jing Wang, Jun Li, Yang Zhao, Xiao-Xiao Dong, Jing Chen, Gang Lu, Yu-Xiang Bu, Shi-Bo Cheng
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Chemistry, Organic
Tao Liu, Lingli Han, Jing Zhang, Gang Lu
Summary: Density functional theory calculations were used to investigate the competing pathways of rhodacycle intermediates in Rh(III)-catalyzed annulations of 2-alkenyl phenols and 2-alkenyl anilides with alkynes. The results reveal that the multiple pathways of eight-membered rhodacycles can be subtly tuned to give specific cyclic products. The formation of different cyclic products from 2-alkenyl phenols and 2-alkenyl anilides is governed by different pathways involving the dissociation of Rh-O bond and intramolecular olefin migratory insertion, respectively.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Yuxi Wang, Bo Qiu, Lingfei Hu, Gang Lu, Tao Xu
Summary: The reverse concerted metalation-deprotonation (CMD) process is proposed as a key step in rationalizing a newly discovered Rh-catalyzed C-C/olefin-H cascade reaction, which features redox-neutral conditions with 100% atom economy, broad substrate scope, and high efficiency (23 examples, up to 85% yield). DFT calculations suggest that the reverse CMD process is crucial in kinetic override of the normal cut and sew process, leading to the activation of olefinic C-H bonds as the predominant pathway.
Article
Chemistry, Organic
Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: DFT calculations and EDA were used to investigate the mechanism and origin of ligand effects on stereoinversion in Pd-catalyzed synthesis of tetrasubstituted olefins. It was found that the steric properties of the ligands lead to different stereoselectivity-determining steps, with Pauli repulsion and polarization playing dominant roles in controlling stereochemistry in 1,2- and 1,3-migrations, respectively. Differences in Pauli repulsion and polarization between the two stereoselective transition states were further identified.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The mechanism and origins of regio- and stereoselectivities of Cu-catalyzed alkyne difunctionalization with CO2 and trialkyl boranes were computationally investigated. The results show that vicinal addition is disfavored due to the inertness of the alkyl copper intermediate. Favored geminal addition proceeds through a cationic Cu-mediated migration pathway. Energy decomposition analysis reveals that σ)(π Pauli repulsion is the dominant factor controlling stereoselectivity.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The research investigates the influence of Cp-X ligands on Rh-catalyzed annulations with alkynes, finding that Cp-E promotes alkyne insertion by affecting the rate-determining step of the reaction. The acceleration effect of Cp-E is attributed to different factors depending on the electronic properties of the rhodacycle intermediates.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Songjie Yu, Yinan Ai, Lingfei Hu, Gang Lu, Chunying Duan, Yue Ma
Summary: A palladium-catalyzed chemoselective coupling of readily available bicyclo[1.1.1]pentanyl alcohols (BCP-OH) with various halides has been developed, providing expedient access to a wide range of cyclobutanone and beta,gamma-enone skeletons through single or double C-C activation. The reaction exhibits broad substrate scope with both BCP-OH and halides, including natural product derivatives. Moreover, the dependence of reaction chemodivergence on base additive has been investigated, which is expected to enhance the reaction modes and synthetic potential of BCP-OH for preparing more complex molecules.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Organic
Yanlei Hu, Lingfei Hu, Han Gao, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The mechanism and origin of regioselectivity in Cu-catalyzed 1,2-hydrocarboxylation of 1,3-dienes with CO2 were investigated computationally. The results indicate that CO2 acts not only as a carboxylation reagent, but also plays a critical role in the formation of the key allyl copper intermediate. Energy decomposition analysis reveals that Pauli repulsion is the dominant factor controlling the regioselectivity of Cu-Bpin additions with 1,3-dienes.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Fang Huang, Xiaoxiao Tian, Fangao Hou, Yaping Xu, Gang Lu
Summary: The regioselectivity of nitrene-mediated allylic C-H amidations is determined by the nitrene insertion step, with the repulsive electrostatic interaction between the negatively charged nitrene N and allyl terminal C atoms identified as the dominant factor.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Organic
Xiangying Lv, Xiaotian Zhang, Rongjian Sa, Fang Huang, Gang Lu
ORGANIC CHEMISTRY FRONTIERS
(2019)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)