Article
Chemistry, Inorganic & Nuclear
Emmelyne Cuza, Cle Donacier Mekuimemba, Nathalie Cosquer, Francoise Conan, Sebastien Pillet, Guillaume Chastanet, Smail Triki
Summary: Two new mononuclear Fe(II) polymorphs with the same anionic complex have been synthesized and characterized. While polymorph 2 exhibits a high-spin state throughout the temperature range, complex 1 undergoes a complete spin crossover transition at around 132.3 K.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Sergii Shylin, Sergiu Shova, Helena J. Shepherd, Vadim Ksenofontov, Wolfgang Tremel, Il'ya A. Gural'skiy
Summary: We report on a molecular cationic iron(ii) complex with an incomplete spin crossover (SCO) behavior. The complex has an unusual disordered structure and a linear arrangement of ligand and water molecules, potentially accommodating up to four iron atoms. Through magnetic susceptibility measurements and Mossbauer spectroscopy, the thermal-induced SCO behavior of iron cations in the complex has been characterized.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Nithin Suryadevara, Ansgar Pausch, Eufemio Moreno-Pineda, Asato Mizuno, Jochen Buerck, Ananya Baksi, Tim Hochdoerffer, Ivan Salitros, Anne S. Ulrich, Manfred M. Kappes, Volker Schuenemann, Wim Klopper, Mario Ruben
Summary: Enantiomerically pure Fe(II) grid complexes were successfully prepared by designing novel chiral ligands, allowing for the fabrication of magneto-chiral molecular devices. The chiral resolution of these complexes enables controlled programmable separation before synthesis. The experimental and calculated CD spectra showed good agreement, confirming the enantiomeric purity of the complexes.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Svetlana G. Kozlova, Sergey A. Petrov, Alexsei Ya. Tikhonov, Lyudmila G. Lavrenova
Summary: A quantum chemical study was conducted on iron(II) complexes of different ligands. These complexes exist in low spin form at room temperature and switch to high spin form upon heating. The comparison of experimental measurements suggests that the chemical bonding in the complexes with L-2 may be more ionic in character than that in the complexes with L-1 and L-3. Additionally, the TPSSh functional provided better agreement with the experimental data than the B3LYP functional.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
N. Kazak, M. S. Platunov, Yu Knyazev, M. S. Molokeev, M. Gorev, S. G. Ovchinnikov, Z. Pchelkina, V. V. Gapontsev, S. Streltsov, J. Bartolome, A. Arauzo, V. V. Yumashev, S. Yu Gavrilkin, F. Wilhelm, A. Rogalev
Summary: In this study, the spin and oxidation states of Co in Co3BO5 were investigated using XMCD and magnetic susceptibility measurements. Results show that at low temperatures, Co2+ ions are in the HS state while Co3+ ions are in the LS state. The crystal structure shows anomalies at high temperatures.
Article
Multidisciplinary Sciences
Farshad Nejadsattari, Zbigniew M. Stadnik
Summary: The electronic, magnetic and hyperfine-interaction properties of the 112-type iron-pnictide compound EuFeAs2 have been investigated using density-functional theory. The band structure is similar to other 112-type compounds, originating mainly from Fe atoms, with a mixture of ionic and covalent bonding predicted. There is good agreement between calculated hyperfine-interaction parameters and experimental results.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Maria Jose Heras Ojea, Jeff M. Van Raden, Shayan Louie, Richard Collins, Daniel Pividori, Jordi Cirera, Karsten Meyer, Ramesh Jasti, Richard A. Layfield
Summary: The addition of bipyridyl-embedded cycloparaphenylene nanohoop to an iron(II) complex leads to a distorted octahedral structure with spin-crossover behavior. Computational studies suggest that the size and curvature of the nanohoop play a critical role in determining the SCO properties of the iron(II) complex.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Sophia Klokishner, Serghei Ostrovsky
Summary: This study proposes a model to explain the spin transformation in crystals containing linear trinuclear iron(II) clusters and explores the different types of spin transitions that trinuclear systems may exhibit. The effects of external pressure on the spin transitions are also discussed, focusing on the Fe3(bntrz)6(tcnset)6 compound.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Inorganic & Nuclear
Tobias Paschelke, Eicke Trumpf, David Grantz, Malte Pankau, Niclas Grocholski, Christian Naether, Frank D. Soennichsen, Anna J. Mcconnell
Summary: In this study, a family of (Fe4L6)-L-II spin-crossover cages based on 2,2'-pyridylbenzimidazoles was reported, and it was found that subtle ligand modifications can lower the spin crossover temperature in CD3CN by up to 186 K. Comparing different pairs of cages, it was observed that CH3 substituents on either the coordination motif or phenylene linker can lower the spin-crossover temperature by different degrees, attributed to electronic effects, steric effects, and a combination of both. The understanding of the interplay between ligand modifications from this study could contribute to the improved rational design of spin-crossover cages.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Alina D. Ivanova, Evgeniy Korotaev, Vladislav Yu Komarov, Taisiya S. Sukhikh, Svetlana Trubina, Liliya A. Sheludyakova, Sergey A. Petrov, Alexsei Ya Tikhonov, Lyudmila G. Lavrenova
Summary: Iron(II) coordination compounds containing a new ligand have been synthesized and studied using various techniques. The structure of a copper(II) complex with the new ligand has also been determined. The results show that these compounds undergo high-temperature spin crossover within a certain temperature range.
INORGANICA CHIMICA ACTA
(2022)
Review
Chemistry, Inorganic & Nuclear
Ke Sun, Jin-Peng Xue, Zi-Shuo Yao, Jun Tao
Summary: In this perspective, we briefly review the main synthetic strategies and progresses in fluorescent spin-crossover (SCO) materials in the last twenty years, emphasizing the promising applications of fluorescent SCO bifunctional materials in magneto-optical switching and information processing.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Arshia Sulaiman, Yi-Zhan Jiang, Mohammad Khurram Javed, Shu-Qi Wu, Zhao-Yang Li, Xian-He Bu
Summary: Spin-crossover (SCO) complexes, bistable in nature, have been extensively studied for their applications. The synthesis of mixed-valence multinuclear spin-crossover complex systems is receiving considerable attention. Two new mixed-valence (Fe2FeII)-Fe-III trinuclear complexes were successfully synthesized and characterized, with their SCO behavior influenced by slight structural modifications, allowing for fine tuning.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Narsimhulu Pittala, Emmelyne Cuza, Dawid Pinkowicz, Michal Magott, Mathieu Marchivie, Kamel Boukheddaden, Smail Triki
Summary: A new 1D coordination polymer has been synthesized and characterized. The magnetic and vibrational infrared data analysis reveals the contribution of two Fe-II active centers. Photomagnetic experiment shows that the dehydrated phase exhibits a photomagnetic response.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Guo-Hui Zhao, Shi-Hui Zhang, Cheng Yi, Tao Liu, Yin-Shan Meng
Summary: The design and construction of bifunctional molecular materials that combine spin crossover (SCO) and fluorescence are complicated. In this study, two modified ligands L1 and L2 were designed and two Fe-II complexes 1 and 2 were synthesized. Both 1 and 2 exhibit complete SCO behavior, with 2 showing a thermal hysteresis of about 7 K around 220 K.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Ludmila G. Lavrenova, Olga G. Shakirova, Evgeniy Korotaev, Svetlana Trubina, Alexsei Ya Tikhonov, Irina A. Os'kina, Sergey A. Petrov, Konstantin Yu Zhizhin, Nikolay T. Kuznetsov
Summary: Novel iron(II) coordination compounds containing a ligand 2,6-bis(1H-imidazol-2-yl)pyridine (L) have been synthesized and studied. The complexes exhibit a spin crossover phenomenon at higher temperatures.
Article
Chemistry, Inorganic & Nuclear
Feng Gao, Feng-Lei Yang, Guang-Zhou Zhu, Yue Zhao
DALTON TRANSACTIONS
(2015)
Article
Chemistry, Inorganic & Nuclear
Rong Liu, Miao-Miao Huang, Xi-Xi Yao, Hao-Huai Li, Feng-Lei Yang, Xiu-Ling Li
INORGANICA CHIMICA ACTA
(2015)
Article
Chemistry, Inorganic & Nuclear
Xi-Xi Yao, Ya-Meng Guo, Rong Liu, Xiao-Yan Feng, Hao-Huai Li, Nian Liu, Feng-Lei Yang, Xiu-Ling Li
Article
Chemistry, Inorganic & Nuclear
Feng-Lei Yang, Guang-Zhou Zhu, Bei-Bei Liang, Yan-Hui Shi, Xiu-Ling Li
Article
Chemistry, Multidisciplinary
Feng-Lei Yang, Feng Shao, Guang-Zhou Zhu, Yan-Hui Shi, Feng Gao, Xiu-Ling Li
Article
Chemistry, Inorganic & Nuclear
Xue-Lian Xin, Min Chen, Yu-bo Ai, Feng-lei Yang, Xiu-Ling Li, Fuyou Li
INORGANIC CHEMISTRY
(2014)
Article
Chemistry, Inorganic & Nuclear
Guang-Zhou Zhu, Bei-Bei Xing, Feng-Lei Yang, Xiu-Ling Li
Article
Chemistry, Multidisciplinary
Feng-Lei Yang, Wen-Hao Wu, Ya-Qun Wang, Xin Chen, Bei-Bei Liang, Hong-Li Mi, Gui-Lin Zhang, Xiao-Yu Chen, Yanhui Shi
Summary: A series of solvates based on a dinuclear Fe(II) complex were synthesized and showed abundant variations in spin crossover properties, emphasizing the critical role of the crystal lattice contributions. Computational studies on these solvatomorphs revealed varying spin state behaviors due to different crystal lattice effects and molecular distortions, providing insights for designing compounds with selected properties.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Physical
Qiuyan Shen, Shuo Zhou, Feng-Lei Yang, Xiaojun Wang, Xiguang Han
Summary: In this article, a tubular-hexagonal beta (beta)-In2S3/In2O3 heterojunction with a porous shell encapsulated by N-doped carbon was prepared under a controlled sulfidation before the annealing treatment. The intimate contact between In2O3 and In2S3 is guaranteed, and the separation efficiency of photogenerated carriers is improved by coating with N-doped carbon. Experimental results show that this material exhibits high efficiency, good recyclability, and excellent functional-group tolerance in photocatalyzing the coupling of amines to imines.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Yaya Yuan, Ya-Qun Wang, Guilin Zhuang, Qiuyan Li, Feng-Lei Yang, Xiaojun Wang, Xiguang Han
Summary: Improving separation efficiency and exposing more active sites are crucial for enhancing photocatalytic efficiency. The study focused on designing materials with special structure to achieve these objectives, resulting in the eco-friendly Cu/In2O3@N-C nanocomposite with high efficiency and good recyclability. Its enhanced photocatalytic performances are attributed to its unique structural features and optimized combination of photoredox function.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Inorganic & Nuclear
Xiang Li, Yu-Han Liu, Guang-Zhou Zhu, Feng-Lei Yang, Feng Gao
Summary: A series of homodinuclear beta-diketone lanthanide complexes were synthesized and further designed, showing ferromagnetic interaction between Dy and Tb centers and zero-field slow relaxation of magnetization for Dy complexes. The magneto-structural correlations of the complexes were discussed based on theoretical calculations and experimental outcomes.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Multidisciplinary
Wen-Hao Wu, Ya-Qun Wang, Hong-Li Mi, Qing-Xuan Xue, Feng Shao, Fei Shen, Feng-Lei Yang
Summary: A novel high-spin Co(II) complex has been synthesized using a solvothermal method, featuring Co(II) ions in octahedral and tetrahedral coordination bridged by mu-Cl, mu-(N-N), and mu-O linkers forming 1D chains. The compound exhibits single-chain magnetic behavior at low temperatures, with the mu-O linker transmitting ferromagnetic coupling according to both simulation and DFT computations.
Article
Chemistry, Multidisciplinary
Zhi Wang, Feng-Lei Yang, Yang Yang, Qing-Yun Liu, Di Sun
CHEMICAL COMMUNICATIONS
(2019)
Article
Chemistry, Inorganic & Nuclear
Feng-Lei Yang, Xin Chen, Wen-Hao Wu, Jing-Hang Zhang, Xiang-Mei Zhao, Yan-Hui Shi, Fei Shen
DALTON TRANSACTIONS
(2019)
Article
Chemistry, Inorganic & Nuclear
Feng Gao, Feng-Lei Yang, Xiaowan Feng, Huimin Xu, Wang Sun, Huan Liu, Xiu-Ling Li
DALTON TRANSACTIONS
(2017)
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)
