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Alkyl initiated ring opening polymerization of lactide by indium complexes supported by NCN pincer ligands

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02603A, Paper
Takeo Iwase, Afagh Habibzadeh, Chatura Goonesinghe, Kudzanai Nyamayaro, Joseph Chang, Jason Wai-Lok Poon, Salik Hasan Rushdy, Justin Koh, Brian O. Patrick, Parisa Mehrkhodavandi
Alkyl-indium NCN pincer complexes supported by amine donors are significantly more active for lactide polymerization than the analogous imine derivatives.
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The mechanism of Mo-nitrogenase: from N2 capture to first release of NH3

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02606C, Paper
Ian Dance
I describe how nitrogenase catalyses N2 → HNNH → HNNH2 → NH3 + NH and how the calculated dynamics explain recent kinetics data.
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What is the key factor affecting the cathodoluminescence intensity of europium complexes?

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02501F, Communication
Rongdeng Lu, Tinghui Huang, Alexander Goloveshkin, Dmitry Kopytov, Kseniya Orekhova, Ivan Khanbekov, Valentina V. Utochnikova
Cathodoluminescence of lanthanide coordination compounds correlates with PLQY/τ in the saturation regime and with PLQY when saturation is not reached. Understanding this, a brightly cathodoluminescent europium complex was obtained.
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Trigonal bipyramidal or square planar? Density functional theory calculations of iron bis(dithiolene) N-heterocyclic carbene complexes

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02650K, Communication
Katherine Merkel, Alyssa V. B. Santos, Scott Simpson
DFT calculations of 57 iron bis(dithiolene)-N-heterocyclic carbene adducts were conducted to determine what parameters predict their coordination. The properties were compared via regression models to see which best predict the Addison τ parameter.
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Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT01765J, Paper
Romain Kunert, Diego Martelino, Samyadeb Mahato, Nicholas Hein, Jason Pulfer, Christian Philouze, Olivier Jarjayes, Fabrice Thomas, Tim Storr
The synthesis of MnV and CrV nitride complexes of a pro-radical tetradentate bis-phenol bis-N-heterocyclic carbene ligand H2LC2O2 were investigated. Employing either azide photolysis of the MnIII precursor complex MnLC2O2(N3) or...
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Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02613F, Paper
Alena A. Vasileva, Pavel A. Demakov, Tatiana Y. Guselnikova, Alexey A. Ryadun, Vladimir P Fedin, Danil N. Dybtsev
Four new metal-organic frameworks with the formulae [Sm2(phen)2(NO3)2(chdc)2]·2Solv, where Solv = N,N-dimethylformamide (DMF; 1), N,N-dimethylacetamide (DMA; 2), N,N-diethylformamide (DEF; 3), N-formylpiperidine (NFP; 4), phen = 1,10-phenanthroline and chdc2– = trans-1,4-cyclohexanedicarboxylate...
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Bicyclic (Alkyl)(Amino)Carbenes (BICAACs): Synthesis, Characteristics, and Applications

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02696A, Perspective
Ankita Sharma, Unnikrishnan Nair K, Subrata Kundu
Carbenes in general and isolable NHCs (N-heterocyclic carbenes) in particular have been useful ligands in recent years. The emergence of CAACs [cyclic(alkyl)(amino)carbenes], BICAACs [bicyclic(alkyl)(amino)carbenes], and many other carbenes has marked...
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Development of Polyoxometalate-loaded MOF for Heterogeneous Catalysis and Enhanced Dye Adsorption

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02645D, Paper
Ketan Maru, Sarita Kalla, Ritambhara Jangir
The study focuses here on the enhancement of MIL-117 functionality by incorporating well-known polyoxometalate (POM); tetrabutylammonium octamolybdate [(n-C4H9)4N]4[Mo8O26]. Using an encapsulation method with conventional heating, Mo8O264- anions were first time...
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Construction of efficient Pb(II) carboxylate catalysts for Oxygen and Hydrogen Evolution Reactions

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02958E, Paper
Janak ., Vijay Sarjerao Sapner, Bhaskar Ramchandra Sathe, Sadhika Khullar
The development of cost-effective and efficient electrocatalysts can solve the problem in the production of energy via water splitting reactions. In this work, we focused on two lead-based coordination polymers...
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Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02656J, Paper
Tomasz Wojnowski, Anna Ordyszewska, Hanna Halenka, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba
The reactivity of the phosphinoborenium cation supported by a 1,3,4,5-tetramethylimidazolin-2-ylidene ligand toward small molecules was explored. The phosphinoborenium cation exhibited dual Lewis acid–base properties due to the presence of the...
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The Bonding Situations in Ruthenium Chalcogenonitrosyl Compounds: A Physical Reasoning

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02680B, Paper
Richard Fragnani Cardoso, Vinícius Acir Glitz, Renato Luis Tame Parreira, Giovanni Finoto Caramori, Luis Henrique Silveira Lacerda
This research presents, for the first time, a comprehensive and rigorous investigation of ruthenium(II) chalcogenonitrosyl bonding situations in two sets of coordination compounds: [Ru(NE)Cl2(L_{OEt})] (1a-4a) and [Ru(NE)Cl2(L_{OEt})]- (1b-4b), where E...
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Fe/Fe3C particles encapsulated in hollow carbon nanoboxes for high performance zinc–air batteries

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02396J, Paper
Chuyun Huang, Wenyuan Zhang, Xuezhi Hu, Shiliang Fei, Fhulufhelo Nemangwele, Nnditshedzeni Eric Maluta, Yangsen Hu, Hui Lv, Pei Hu, Zhuo Peng
Zinc–air batteries are recognized for their environmental friendliness and high energy density; however, the slow kinetics of the oxygen reduction reaction (ORR) at the air electrode hinder their commercial viability.
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A ratiometric luminescence thermometer based on lanthanide encapsulated complexes

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02639J, Paper
Aribam Rishikanta Sharma, Atom Rajiv Singh, Anju Ajayan Kongasseri, Swadhin Garain, Ann Mariella Babu, Rajkumari Lonibala, Raju Laishram
This paper describes the synthesis of various luminescent Tb and Eu complexes by encapsulation in a Ca-complex. The synthesised material was then used as a ratiometric luminescence thermometer, in which thermometric parameters could be tuned.
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Rational fabrication of an anionic zinc carboxylate framework as a fluorescent probe for 2,6-pyridinedicarboxylic acid

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02529F, Paper
Hui-Hui Xie, Hao Yu, Xiuling Xu, Si-Fu Tang
An anionic zinc carboxylate framework has been fabricated as a fluorescent sensor for the detection of 2,6-pyridinedicarboxylic acid (DPA).
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Extended investigation of the conductive characteristics of monoclinic tungstates with a Bi3.24Ln2W0.76O10.14 (Ln = La, Pr or Nd) composition

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02462A, Paper
Ekaterina I. Orlova, Yelizaveta A. Morkhova, Nikolay V. Lyskov, Anastasia V. Egorova, Egor D. Baldin, Artem A. Kabanov, Elena P. Kharitonova, Valentina I. Voronkova
More extensive conductivity studies have been carried out on the Bi3.24Ln2W0.76O10.14 (Ln = La, Pr or Nd) Watanabe phases, resulting in a detailed understanding of the predominant oxygen-ion migration.
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Accelerating the reaction kinetics of Ni1−xO/Ni(OH)2/NF by defect engineering for urea-assisted water splitting

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02871F, Paper
Yuan Rui, Zong Li, Miaohui Wang, Yunxia Liu, Haiping Lin, Peipei Huang, Qing Li
The reaction kinetics of Ni1-xO/Ni(OH)2/NF are accelerated through a defect engineering strategy by combining Zn doping and acid etching, leading to improved intrinsic activities for UOR.
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Chemistry of organometallic nucleic acid components: personal perspectives and prospects for the future

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02634A, Perspective
Mateusz Klarek, Konrad Kowalski
Article summarizes over 12 years of studies on organometallic nucleic acid components in our laboratory. It outlines synthetic chemistry, redox, photophysical and biological properties alike. It also shows directions for future development.
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Morphology-dependent Li+ ion dynamics in X-ray amorphous and crystalline Li3PS4 prepared by solvent-assisted synthesis

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02636E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jonas Spychala, Christoph Mandl, Katharina Hogrefe, H. Martin R. Wilkening, Bernhard Gadermaier
Ionic conductivity of Li3PS4 if synthesized by a solvent-assisted method strongly depends on overall and surface morphology. Amorphous Li3PS4 shows a rather high conductivity which is only slightly enhanced when going to the (nano-)crystalline form.
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Electrostatic vs. electronic interactions within oxidized multinuclear Pt(bipyridine)(dithiolene) complexes

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02514H, Paper
Khalil Youssef, Antoine Vacher, Thanaphon Khrueawatthanawet, Thierry Roisnel, Frédéric Barrière, Dominique Lorcy
Multinuclear complexes involving two or three redox active Pt(dithiolene) moieties were synthesized and electronic interactions were analysed through a combination of experimental and theoretical investigations.
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Multifunctional chiral metal hydrogen-bonded organic frameworks constructed from lanthanide ions with a trigonal prismatic coordination environment

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02131B, Paper
Guo Peng, Guo-Xing Zhou, Xiang-Tao Dong, Yong-Bo Peng, Rong-Yan Zhang, Ying-Zhao Ma, Xiao-Ming Ren
Four multifunctional chiral lanthanide hydrogen-bonded organic frameworks with second harmonic generation, single molecule magnet behavior and proton conductive ability are reported herein.
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One-pot facile synthesis of rod-like Bi2S3 particles in deep eutectic solvent and their ppb-level selective H2S gas detection

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT03006K, Communication
Reiko Furukawa, Takuya Hasegawa, Ayahisa Okawa, Shu Yin
Rod-like Bi2S3 particles were synthesized by one-pot reactions with choline chloride-based DESs, and showed sub-ppm level selective H2S gas detection. Acetamide-based DES yielded uniform particles with excellent gas sensitivity.
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Influence of weakly coordinating anions binding to the hexa-tert-butyl dysprosocenium cation

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02713B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Sophie C. Corner, Gemma K. Gransbury, David P. Mills
We present the synthesis and characterisation of two dysprosium metallocene complexes with bound weakly coordinating anions. Despite their similarity these complexes exhibit vastly different effective energy barriers to magnetic reversal.
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Two amino-functionalized metal–organic frameworks with different topologies for C2H2/C2H4 separation

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02592J, Communication
Yue Li, Mingming Xu, Hongyan Liu, Xiaokang Wang, Yutong Wang, Meng Sun, Weidong Fan, Daofeng Sun
Two amino-functionalized metal–organic frameworks (UPC-121 and UPC-122) with different topologies were obtained by regulating metal ions. Among them, UPC-122 exhibit the potential to separate C2H2/C2H4 at room temperature.
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Switchable, chiral aluminium catalysts for ring opening polymerisations

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02831G, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
David T. Jenkins, Elizabeth C. Trodden, John M. Andresen, Stephen M. Mansell, Ruaraidh D. McIntosh
A switchable, solvent-free catalytic system was developed in which Al catalysts selectively initiate either the formation of polyether or polycarbonate through the application of a PPNCl (bis(triphenylphosphine)iminium chloride) cocatalyst.
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Indium-Catalyzed Hydrosilylation of Nitroarenes to Aromatic Amines

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02861A, Paper
Sai Kumar Gobbilla, Kulsum Bano, Priyabrata Biswal, Soumyadip Dey, Ravi Kumar, Abhijit Sau, Vadapalli Chandrasekhar, Tarun Kanti Panda
Herein, we report the synthesis of three indium complexes (1-3) supported by different chelating ligands (L1-L3). The indium metal complexes were characterized by using multinuclear NMR, and their solid-state structures...
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A highly sensitive ratiometric optical thermometer based on Sr2MgWO6 double perovskite doped with Dy3+ exploiting thermally coupled and uncoupled levels

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02940B, Paper
Thi Hong Quan Vu, Bartosz Bondzior, Dagmara Stefanska, Shovan Dan, Przemysław Jacek Dereń
The increasing demand for highly sensitive optical thermometers operating within a wide temperature range necessitates the development of new phosphors. In this work, the potential of temperature sensing performance of...
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Stable homogeneous silver(I) catalysts for the highly efficient cycloaddition of azides onto terminal alkynes in water

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02825B, Communication
Meysam Kakavand, Anna Kozakiewicz, Abdollah Neshat
To develop stable and efficient silver(I) catalysts and evaluate the role of sulfur and phosphorus donor ligands in the catalytic cycloaddition of selected organic azides and alkynes (AAC), a series...
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β-Cyclodextrin and cucurbit[7]uril as protective encapsulation agents of the CO-releasing molecule [CpMo(CO)3Me]

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT01863J, Paper
Rodrigo P. Monteiro, Isabel B. Calhau, Ana C. Gomes, André D. Lopes, José P. Da Silva, Isabel S. Gonçalves, Martyn Pillinger
For inclusion compounds between the complex [CpMo(CO)3Me] (1) and β-cyclodextrin or cucurbit[7]uril, the macrocyclic hosts modulate to different degrees the UV light-mediated CO release from encapsulated 1.
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Co-doping regulation on Ni-based electrocatalysts to adjust the selectivity of oxygen reduction reaction for Zn–air batteries and H2O2 production

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Dalton Trans., 2024, 53,17819-17828
DOI: 10.1039/D4DT01625D, Paper
Songhan Hu, Kai Wang, Xinxin Xu, Qiang Wang
Two Ni-based electrocatalysts with different ORR selectivity were synthesized from a NiMOF, which show promising prospects in Zn–air batteries and H2O2 production.
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A grain-like cerium oxide nanostructure: synthesis and uric acid sensing application

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Dalton Trans., 2024, 53,17794-17802
DOI: 10.1039/D4DT02056A, Paper
Rafiq Ahmad, Sakeena Masrat, Md. Tabish Rehman, Mohamed F. AlAjmi, Shamshad Alam, Prabhash Mishra, Byeong-Il Lee
Hydrothermally prepared grain-like CeO2 nanostructures were useful for creating a high-performance and non-enzymatic sensor for uric acid detection.
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Molecular Fe(II)–Ln(III) dyads for luminescence reading of spin-state equilibria at the molecular level

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Dalton Trans., 2024, 53,17756-17765
DOI: 10.1039/D4DT01868K, Frontier
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Timothée Lathion, Neel Deorukhkar, Charlotte Egger, Homayoun Nozary, Claude Piguet
Efficient and easy lanthanide(III)-based luminescence reading of iron(II) spin-state equilibria presents an attractive challenge, owing to the delicate combination of the primogenic effect and the Fermi golden rule.
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Excited-state intramolecular proton transfer (ESIPT) active interwoven polycatenated coordination polymer for selective detection of Al3+ and Ag+ ions along with water detection in less polar solvents

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Dalton Trans., 2024, 53,18003-18012
DOI: 10.1039/D4DT02285H, Paper
Anupam Maiti, Rakesh Kumar, Bidyadhar Mahato, Debajyoti Ghoshal
An ESIPT active coordination polymer is successfully synthesized, exhibiting ESIPT induced blue shift for Al3+ ions and ESIPT-off for Ag+ ions. The material can also detect polar water, dimethylformamide and methanol in less polar organic solvents.
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Metal–organic framework-derived Se-blended ZrO2 with a nitrogen-doped carbon heterostructure for electrocatalytic overall water splitting

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Dalton Trans., 2024, 53,17918-17933
DOI: 10.1039/D4DT02542C, Paper
Krishnendu M. Nair, Pavithra Shankar, Selvaraju Thangavelu
Electrocatalytic overall water splitting is achieved with ease at 1.58 V together with exciting stability over 48 h.
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Construction of oxygen-rich vacancies and heterojunctions coupled with different morphologies of CeO2/mesoporous TiO2 framework structures for efficient photocatalytic CO2 reduction performance

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Dalton Trans., 2024, 53,17963-17975
DOI: 10.1039/D4DT02014F, Paper
Morigejile Liu, Guangmei Jiang, Zaiwang Zhao, Ying Shi, Siqin Zhao
Construction of oxygen-rich vacancies and heterojunction-coupled CeO2/mesoporous TiO2 framework structures with different morphologies and efficient photocatalytic CO2 reduction performance.
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An insightful study on the reduction and extraction of neptunium assisted by molybdenum

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Dalton Trans., 2024, 53,17909-17917
DOI: 10.1039/D4DT02547D, Paper
Huaixin Hao, Yaoyang Liu, Hong Cao, Zhipeng Wang, Chao Xu, Jing Chen
Mo dramatically boosts the extraction of Np(V) by TRPO through the catalytic reduction effect in both the aqueous phase and organic phase.
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Fluorescent molecular systems based on carborane-perylenediimide conjugates

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Dalton Trans., 2024, 53,17841-17851
DOI: 10.1039/D4DT02477J, Paper
Open Access
Ruben Rodriguez-Madrid, Sohini Sinha, Laura Parejo, Jordi Hernando, Rosario Núñez
o-Carborane–perylenediimide conjugates exhibit exceptional fluorescence properties in solution, while red-light excimer emission is observed in their aggregated forms and in dispersible nanoparticles.
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Direct O2 mediated oxidation of a Ni(II)N3O structural model complex for the active site of nickel acireductone dioxygenase (Ni-ARD): characterization, biomimetic reactivity, and enzymatic implications

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Dalton Trans., 2024, 53,17852-17863
DOI: 10.1039/D4DT02538E, Paper
Kelsey E. Kirsch, Mary E. Little, Thomas R. Cundari, Emily El-Shaer, Georgia Barone, Vincent M. Lynch, Santiago A. Toledo
A structural and functional biomimetic Ni(II)N3O complex, capable of O2 mediated dioxygenase like C–C bond cleavage, via a putative high-valent Ni intermediate.
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Asymmetric magnetic nanosnowman loaded with AgPd nanocage toward NIR-enhanced catalytic activity

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Dalton Trans., 2024, 53,17864-17879
DOI: 10.1039/D4DT02425G, Paper
Jie Jin, Haoran Li, Hongfa Wang, Qunling Fang, Yunqi Xu, Weili Kong, Xia Chen, Ken Cham-Fai Leung, Hailong Wang, Shouhu Xuan
An asymmetric Fe3O4@AgPd/PDA nanosnowman embedded with an AgPd nanocage shows significantly enhanced catalytic activity under near-infrared (NIR) light.
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Three organic–inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes: synthesis, characterization, and catalytic studies for oxidation of styrene

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Dalton Trans., 2024, 53,17880-17892
DOI: 10.1039/D4DT02544J, Paper
Zhi-Cheng Duan, Guanghua Li, Ke-Chang Li, Xiao-Bing Cui
Three novel organic–inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes were synthesized under hydrothermal conditions. Additionally, the catalytic efficacy of these compounds in the oxidation of styrene was investigated.
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Ruthenium, copper and ruthenium–copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand

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Dalton Trans., 2024, 53,18037-18046
DOI: 10.1039/D4DT02755H, Paper
Jingyun Wu, Michael A. Stevens, Michael G. Gardiner, Annie L. Colebatch
A new unsymmetrical dinucleating PNNN ligand is reported, the versatility of which is demonstrated by formation of heterobimetallic, homobimetallic and monometallic complexes.
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Structure modification and luminescence regulation in new violet light excitable Sr(2−y)BayY4La4(SiO4)6O2:xEu2+ phosphors via cation substitution

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Dalton Trans., 2024, 53,17989-18002
DOI: 10.1039/D4DT02195A, Paper
Jie Zhang, Langping Dong, Feng Wang, Jingshan Hou, Yongzheng Fang
A series of violet light excitable Sr(2−y)BayY4La4(SiO4)6O2:xEu2+ phosphors with tunable luminescence for high-quality white LEDs was developed through cation regulation.
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Optimizing synergistic effects: creating oxygen vacancies in NiCoWO4via a solid-state grinding method for improved energy storage performance

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Dalton Trans., 2024, 53,17948-17962
DOI: 10.1039/D4DT02118E, Paper
Anandhavalli Jeevarathinam, Arun Annamalai, Ramya Ravichandran, Kumaresan Annamalai, Sundaravadivel Elumalai
We disclose, for the first time we report the synthesis of an oxygen vacancy-enriched NiCoWO4 electrode by a simple solid state grinding method using NaBH4 as a mild reducing agent without any solvents.
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Coinage metal(I) clusters supported by a 1,10-phenanthroline-phosphine: orange-to-NIR phosphorescence, metallophilic interactions and enhanced cytotoxicity

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Dalton Trans., 2024, 53,18027-18036
DOI: 10.1039/D4DT02642J, Paper
Alexander V. Artem'ev, Maria P. Davydova, Lyubov S. Klyushova, Evgeniy H. Sadykov, Mariana I. Rakhmanova, Taisiya S. Sukhikh
Based on 2-(diphenylphosphino)-1,10-phenanthroline, a series of small metal(I) clusters, exhibiting orange to NIR phosphorescence and strong dose-dependent cytotoxicity.
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Tunability of triplet excited states and photophysical behaviour of bis-cyclometalated iridium(III) complexes with imidazo[4,5-f][1,10]phenanthroline

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Dalton Trans., 2024, 53,17934-17947
DOI: 10.1039/D4DT01996B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Katarzyna Choroba, Joanna Palion-Gazda, Mateusz Penkala, Patrycja Rawicka, Barbara Machura
The impact of cyclometalating ligands on the photophysical behaviour of heteroleptic Ir(III) complexes with imidazo[4,5-f][1,10]phenanthroline. [Ir(ppy)2(imphen)]+ is a 3MLLCT emitter, while [Ir(pybzth)2(imphen)]+ has a predominant 3LCN∩C character.
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Neutral mononuclear indium(III) photosensitizers for CO2 photoreduction

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Dalton Trans., 2024, 53,17772-17776
DOI: 10.1039/D4DT02595D, Communication
Zaichao Zhang, Li-Zhi Fu, Piao He, Xiao-Yi Yi
Neutral mononuclear indium(III) complexes (In-1–In-3) containing 2,6-di(1H-pyrrol-2-yl)pyridine and substituted dipyridylpyrrole pincer ligands are employed as photosensitizers in photocatalytic CO2 reduction.
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Unprecedented C–F bond cleavage in perfluoronaphthalene during cobaltocene reduction

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Dalton Trans., 2024, 53,17789-17793
DOI: 10.1039/D4DT02791D, Communication
Gargi Kundu, Debjit Pramanik, Soumya Ranjan Dash, Ravi Kumar, Mayur Sangole, Srinu Tothadi, Aryya Ghosh, Kumar Vanka, Kirandeep Singh, Sakya S. Sen
The reduction of octafluoronapthalene by cobaltocene in preence of NHC led to a distinct Co(I) species with the cleavage of the C–F bond and the formation of Co–C bond.
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A bioinspired water oxidation catalyst that is ∼1/10th as active as the photosystem II oxygen evolving center at pH 7: a study of activity and stability factors

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Dalton Trans., 2024, 53,17783-17788
DOI: 10.1039/D4DT02336F, Communication
Danijel Boskovic, Richard Terrett, Matthew Longhurst, Sabeel Basheer, Alireza Ariafard, Pawel Wagner, Ronald J. Pace, Rob Stranger, Gerhard F. Swiegers
Ca-doped birnessite MnOx on liquid crystalline reduced graphene oxide exhibits unprecedented performance for an abiological catalyst at pH 7, including a very low onset overpotential of 0.52 V and high activity per unit area at 0.56 V overpotential.
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Beyond the triple bond: unlocking dinitrogen activation with tailored superbase phosphines

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02703E, Paper
Vilakkathala U. Krishnapriya, Cherumuttathu H. Suresh
Dinitrogen activation has long been a challenging goal in chemistry. Tailored superbase phosphines offer a promising approach to overcome this challenge by going beyond the traditional triple bond.
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A mechanistic study of chiral manganese porphyrin-catalyzed enantioselective C–H hydroxylation reaction

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02452D, Paper
Jing-Kun Gao, Wandong Chen, Junjie Tai, Zhengwei Chen, Hang Liu, Yuxin Du, Yiting Jiang, Yuanbin She, Yun-Fang Yang
This study uses DFT to explain the enantioselectivity of C–H hydroxylation by a chiral manganese porphyrin. A two-point hydrogen bonding favors pro-(S) C–H bond abstraction by 1.9 kcal mol−1, leading to (S)-hydroxylated products.
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Heats of formation on the way from B2H6 to B20H16: thermochemical consequences of multicenter bonding in ab initio and DFT methods

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02589J, Paper
Open Access
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Jindřich Fanfrlík, Jan Řezáč, Drahomír Hnyk, Josef Holub
The objective of this study is to evaluate the effectiveness of various computational methods in reproducing the experimental heats of formation of boron hydrides using the atomization energy approach.
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