Article
Chemistry, Inorganic & Nuclear
David Jago, Amelia. R. R. Langley, Samantha. G. G. Eaves, Mark. C. C. Walkey, Thea Pulbrook, Stephen. A. A. Moggach, Matthew. J. J. Piggott, Paul. J. J. Low, George. A. A. Koutsantonis
Summary: Multifunctional switches are crucial for the development of smart molecular materials and molecular-electronic applications. The synthesis, structure, and characterization of spiropyrans functionalized with alkynyl-[Ru(dppe)(2)] groups are described. The study demonstrates access to several stable redox states using electrochemical and spectroelectrochemical methods, as well as via acidochromism and photoisomerisation. The spiropyran also exhibits effective insulation properties for electronic communication across the molecular backbone.
DALTON TRANSACTIONS
(2022)
Article
Biochemistry & Molecular Biology
Christoph A. Riedl, Alexander Rosner, Sophia Harringer, Philipp Salomon, Michaela Hejl, Michael A. Jakupec, Wolfgang Kandioller, Bernhard K. Keppler
Summary: The use of bisphosphonate-functionalized ligands in the synthesis of trithiolato-bridged dinuclear ruthenium(II) and osmium(II) arene complexes improved aqueous solubility but decreased antiproliferative activity in vitro.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Joshua J. Woods, Justin J. Wilson
Summary: A metal-based H2S donor has been developed for selective delivery of H2S to hypoxic cells, showing potential protective effects against ischemic reperfusion injury in rat cardiomyoblasts. These findings demonstrate the utility of redox-activated metal complexes as hypoxia-selective H2S-releasing agents for studying the role of this gas in complex biological systems.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Chemistry, Inorganic & Nuclear
Magdalena Malecka, Anna Skoczynska, David M. Goodman, Christian G. Hartinger, Elzbieta Budzisz
Summary: This review highlights the progress in the development of ruthenium(II)/(III) complexes with flavone derivatives as potential therapeutic agents, focusing on their antimicrobial, antitumor activity, and enzyme inhibition. The design concept for the Ru complexes as multitargeted compounds consisting of a bioactive ligand and a ruthenium center is also emphasized.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Applied
Robert T. Kumah, Stephen O. Ojwach
Summary: In this study, a series of dinuclear piano-stool ruthenium (II) complexes were synthesized and their structures were confirmed using various analytical techniques. The catalytic performances of these complexes in transfer hydrogenation reactions were investigated, and the results showed that they exhibited high catalytic activities and could efficiently catalyze a broad range of ketones at low catalyst loadings.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Andre Ferrarini, Rafael Natan Soek, Rafaella Rebecchi Rios, Francielli Sousa Santana, Renan Borsoi Campos, Roberto Santana da Silva, Fabio Souza Nunes
Summary: Two novel ruthenium-nitrosyl complexes were synthesized and characterized. RuLANO can release chloride ions and dissociate NO upon irradiation, while Ru3LBNO is photo-inactive in a specific wavelength range. These results are consistent with calculations and electrochemical responses.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Inorganic & Nuclear
Soumi Das, Poulami Pal, Tanusree Ganguly, Sujoy Baitalik
Summary: In this study, a new strategy for the synthesis of luminescent Ru(II) complexes was developed. The synthesis involved the preparation of a new set of bis-tridentate complexes incorporating both non-cyclometalated and cyclometalated coordination motifs. The complexes exhibited enhanced absorption in a longer-wavelength region and room-temperature luminescence in the NIR domain. The spectral properties of the complexes could be fine-tuned by acid-base equilibria, with the Ru-C bond being de-coordinated in the presence of excess acid and then restored upon treatment with base at elevated temperatures.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Tobias Biberger, Nils Noethling, Markus Leutzsch, Christopher P. Gordon, Christophe Coperet, Alois Fuerstner
Summary: In the investigation of ruthenium precatalysts used for light-driven alkyne gem-hydrogenation reactions, a thermally robust anionic dinuclear sigma-dihydrogen complex was found. This complex, formed by the reaction of [(IPr)(eta(6)-cymene)RuCl2] with H-2 under UV-irradiation, is a rare example of anionic sigma-complexes lacking any structural attributes to counterbalance the negative charge and prevent metal center insertion into ligated H-2.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Lorenzo Arnal, Daniel Escudero, Sara Fuertes, Antonio Martin, Violeta Sicilia
Summary: This article describes the reaction mechanism of complexes [{Pt(C<^>C*)(mu-pz)}2] with methyl iodide and benzyl bromide, as well as the structure and spectroscopic properties of the products.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Rama Dhali, D. K. Andrea Phan Huu, Francesco Bertocchi, Cristina Sissa, Francesca Terenziani, Anna Painelli
Summary: This study investigates a typical TADF dye in liquid and glassy solvents through spectroscopic analysis and theoretical modeling, revealing the charge-transfer nature of the fluorescent and almost degenerate phosphorescent states. The role of conformational degrees of freedom and matrix polarizability in governing TADF is addressed, providing a sound understanding of the photophysics in different environments.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Pragti, Sreshtha Nayek, Satyam Singh, Avinash Sonawane, Ivo Grabchev, Rakesh Ganguly, Suman Mukhopadhyay
Summary: In this study, three Ru(II) arene complexes with a bidentate benzimidazole-based ligand were synthesized and their antitumor activity was studied by varying the co-ligand X. The synthesized compounds showed good interactions with serum albumin proteins, had good drug stability and lipophilic character. They were found to bind with DNA and could induce apoptosis in cancer cells, as well as upregulate cleaved caspase-3 expression and downregulate BCLXL expression. These findings provide a new direction for the investigation of antitumor ruthenium-based metallodrugs using benzimidazole-based ligands.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Prasun Acharya, Arun Kuila, Ushasi Pramanik, Venkatesha R. Hathwar, Paula Brandao, Saptarshi Mukherjee, Swapan Maity, Tithi Maity, Ribhu Maity, Bidhan Chandra Samanta
Summary: This study synthesized two mononuclear complexes of Cu(ii) and Ni(ii) using a Schiff base ligand derived from 2-hydroxybenzaldehyde and N-methyl-propane 1,3-diamine and characterized their anti-proliferative potential against SiHa. The crystallographic results showed the orthorhombic nature for Cu(ii) complex (1), with a distorted octahedral geometry, and for complex (2), a distorted octahedral geometry with two independent Ni(ii) atoms. The complexes exhibited DNA binding affinities and promiscuous binding with Bovine serum albumin, but showed little antioxidant activity. Cytotoxicity studies revealed a decrease in cell viability for SiHa over time, while normal cell lines showed higher viability. Fluorescence imaging indicated apoptosis of the cancer cells from day 1 to day 3.
Article
Chemistry, Multidisciplinary
Riaz Hussain, Syed Laila Rubab, Afifa Maryam, Tuba Ashraf, Muhammad Arshad, Kiran Lal, Sajjad H. Sumrra, Shafaq Ashraf, Bakhat Ali
Summary: This study reports the preparation of transition metal complexes Co(II), Ni(II), and Cu(II) of hydrazone Schiff base ligands. The synthesized ligands and metal complexes were characterized using spectroscopic methods. The research findings reveal the antimicrobial activity and nonlinear optical properties of these metal complexes.
Article
Chemistry, Multidisciplinary
Sankar Monika, Rengan Ramesh
Summary: This study reports the synthesis of a new series of organometallic dinuclear ruthenium(ii) arene complexes and investigates their in vitro antiproliferative activity and cancer cell death mechanism. The formation of complexes was confirmed by various spectroscopic techniques. The synthesized complexes showed higher inhibition of cancer cells compared to the standard cisplatin drug, and apoptosis was confirmed through morphological changes and phosphatidylserine externalization.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Maria A. Lavrova, Stepan A. Verzun, Sergey A. Mishurinskiy, Maxim A. Sirotin, Sofya K. Bykova, Victoria E. Gontcharenko, Sofia S. Mariasina, Vladislav M. Korshunov, Ilya V. Taydakov, Yury A. Belousov, Vladimir D. Dolzhenko
Summary: A series of cyclometalated complexes of ruthenium (II) with different substituents in the aryl fragment of benzimidazole were synthesized and studied. The results showed that the absorption and emission bands of the complexes red shifted with increasing substituent donation. The excited state lifetime and redox potential of the complexes also decreased, indicating their potential as excellent dyes and photosensitizers.
Article
Chemistry, Physical
Eric Bremond, Marika Savarese, Nadia Rega, Ilaria Ciofini, Carlo Adamo
Summary: By using different density functional approximations, we reconstructed the free energy profiles along reaction pathways and compared the computed barrier heights of proton transfer reactions using two different methods. The results show that the choice of density functional has a significant impact on the computed results, with local density functionals often underestimating the barrier heights.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Chemistry, Multidisciplinary
Jeremy Scelle, Hugo Vervoitte, Laurent Bouteiller, Lise-Marie Chamoreau, Matthieu Sollogoub, Guillaume Vives, Bernold Hasenknopf
Summary: The encapsulation of guests in a confined space can lead to unusual conformations and reactivities. This study focuses on the effect of a cyclodextrin (CD) dimer cavity on the conformation of alpha,omega-alkyl-diphosphate axles in pseudorotaxane architectures. Results show that in both solid and solution states, the CD can compress the alkyl chain, resulting in conformational changes.
Article
Chemistry, Physical
Annette Delices, Jinbao Zhang, Marie-Pierre Santoni, Chang-Zhi Dong, Francois Maurel, Sebastien Bellynck, Alexandre Chevillot, Nick Vlachopoulos, Anders Hagfeldt, Mohamed Jouini
Summary: This study investigates the impact of different molecular structures in organic dyes on the performance of solid-state dye sensitized solar cells. The results demonstrate that the RK1 dye shows the highest power conversion efficiency among the studied dyes.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Applied
Atieh Aghajani, Marie-Pierre Santoni, Peyman Mirzaei, Ahmed A. Mohamed, Mohamed M. Chehimi, Mohamed Jouini
Summary: Alcohol oxidation is an important reaction in the food industry and pharmaceuticals. This study focuses on the use of gold nanoparticles as catalysts for alcohol oxidation. By modifying the nanoparticles with specific diazonium salts, the electrocatalytic performance of the nanoparticles in the oxidation of ethanol was enhanced. The results show that single-salt arylation leads to better catalytic performance compared to double-salt arylation, which is attributed to the hinderance of ethanol access caused by the hydrophobic effect of the diazonium salts.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Feven Alemu Korsaye, Aurelien de la Lande, Ilaria Ciofini
Summary: This paper presents a density-based method for describing and diagnosing the electronic density evolution in real-time time-dependent density functional theory simulations of a family of organic molecules. By computing charge transfer distance and diagnostic indices, the redistribution of density can be analyzed, and artificial factors in the simulations can be identified.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Davide Luise, Massimo Christian D'Alterio, Giovanni Talarico, Ilaria Ciofini, Frederic Labat
Summary: The absorption spectra of polymers derived from different positions of phenylenediamines were simulated using DFT calculations and TD-DFT simulations. The results were compared with solvated oligomers extracted from periodic structures. The study showed that for ortho- and para-phenylenediamines, modeling solvated dimers already achieved agreement with experimental data, while for meta-phenylenediamine, the inclusion of long-range electrostatic effects is necessary.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Review
Chemistry, Physical
J. C. Sancho-Garcia, E. Bremond, A. J. Perez-Jimenez, I Ciofini, C. Adamo
Summary: The development of approximations for electronic structure calculations is crucial in theoretical and computational chemistry. We have developed a set of non-empirical density functional expressions that are accurate, widely applicable, and can compete with wavefunction methods. These methods can be applied to study key properties such as chemical structure, reactivity, bonding, and also photochemistry and photophysics.
ELECTRONIC STRUCTURE
(2022)
Article
Chemistry, Physical
Silvia Di Grande, Ilaria Ciofini, Carlo Adamo, Marco Pagliai, Gianni Cardini
Summary: This study focuses on modeling the electronic absorption spectrum of a fluorescent probe using a combined classical-quantum chemical approach. The results emphasize the importance of conformational sampling and the influence of different exchange and correlation functionals on the spectral profile. Hybrid functionals enable accurate reproduction of the observed absorption maxima.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Sebastiano Campagna, Francesco Nastasi, Giuseppina La Ganga, Scolastica Serroni, Antonio Santoro, Antonino Arrigo, Fausto Puntoriero
Summary: Recent years have seen the emergence of self-assembly and spontaneous aggregation as important methods in artificial photosynthesis, which can enhance the efficiency of photocatalytic systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Jun Su, Davide Luise, Ilaria Ciofini, Frederic Labat
Summary: We investigate the properties of different bulk MAPbX3 perovskite systems and heterointerface models between MAPI and TiO2, which are key components of perovskite solar cells. Using a combination of periodic and non-periodic calculations, we model the geometric, electronic, and optical properties of these systems and find that they have favorable features for solar devices. Our computational approach proves to be reliable and cost-effective for studying materials related to photovoltaic applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Kei Kamogawa, Antonio Santoro, Ambra M. Cancelliere, Yuushi Shimoda, Kiyoshi Miyata, Ken Onda, Fausto Puntoriero, Sebastiano Campagna, Yusuke Tamaki, Osamu Ishitani
Summary: Supramolecular photocatalysts, connected redox photosensitizer and catalyst molecules, have higher photocatalytic activity compared to separated systems. By introducing a bridging ligand, the photocatalyst's durability and efficiency can be improved.
Article
Chemistry, Multidisciplinary
Ambra M. Cancelliere, Maurilio Galletta, Antonino Arrigo, Enza Fazio, Sebastiano Campagna, Fausto Puntoriero
Summary: This study reports the absorption spectra and photophysical properties of assemblies of a strongly emissive N-annulated perylene dye in ethanol-water solutions. It is found that excimer emission and charge separation occur in the homo-aggregate and hetero-aggregate assemblies, respectively. The extent of excimer emission is limited in the hetero-aggregate systems.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Lorenzo Briccolani-Bandini, Eric Bremond, Marco Pagliai, Gianni Cardini, Ilaria Ciofini, Carlo Adamo
Summary: In this study, the double proton transfer (PT) reaction in the complex molecule [2,2'-bipyridyl]-3-3'-diol was explored, revealing the coupling of proton movements with significant rearrangement of the electronic structure. The reaction could occur simultaneously (concerted) or sequentially (stepwise), with the characteristics of the stepwise PT depending on the chosen exchange-correlation functionals. The potential energy surface (PES) and free-energy surface (FES) were analyzed using density functional theory, showing variations in the stepwise mechanism and the presence of stable intermediates and transition states.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Maryam Mansoori Kermani, Hanwei Li, Alistar Ottochian, Orlando Crescenzi, Benjamin G. Janesko, Giovanni Scalmani, Michael J. Frisch, Ilaria Ciofini, Carlo Adamo, Donald G. Truhlar
Summary: Theoretical characterization of reactions of complex molecules requires accurate determination of the relative energies of intermediates and transition states. In this study, the DLPNO-CCSD(T) method was employed to provide benchmark values for Diels-Alder transition states leading to strained pentacyclic adducts. Various wave function and density functional methods were compared for their prediction of absolute and relative barrier heights. The results show that only a few density functionals can satisfactorily predict absolute barrier heights, while relative barrier heights are more accurate. The findings of this study can guide the selection of density functionals for future studies on crowded, strained transition states of large molecules.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Michele Turelli, Ilaria Ciofini, Qinfan Wang, Alistar Ottochian, Frederic Labat, Carlo Adamo
Summary: Organic luminophores with luminescence enhancement in solid state have great potential for the development of functional materials. However, the understanding of the molecular interactions responsible for the macroscopic response is limited. Theoretical frameworks that provide mechanistic explanations and quantitative predictions are important for the understanding of solid-state luminescence enhancement.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
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)