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Photophysical, photodynamical, redox properties and BSA-interactions of novel isomeric tetra-cationic peripheral palladium(II)-bipyridyl porphyrins

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01063D, Paper
Fabiano S Santos, Carolina H. da Silveira, Fabio Souza Nunes, Daniele Ferreira, Henrique Victória, Klaus Krambrock, Otávio Augusto Chaves, Fabiano Severo Rodembusch, Bernardo Almeida Iglesias
New isomeric tetra-cationic porphyrins containing peripheral [Pd(bpy)Cl]+ units attached at pyridyl substituents were synthetized and fully characterized. The porphyrins present an intense Soret band located in the blue spectral region...
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Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/C9DT04501E, Paper
Catiúcia Rodrigues Marcelino Oliveira Matos, Henrique Silva Jr, Dayenny D’Amato, Guilherme Guedes, Glaucio Braga Ferreira, Odivaldo Cambraia Alves, Filipe Barra de Almeida, Sergio Pinheiro, Acácio Souza, Flavio Garcia, Célia Machado Ronconi
The Cu(II) heptanuclear complex (Cu7atac) was synthesised using the hydrated amino acid ligand 2-(5-amino-1H-1,2,4-triazol-3-yl)acetic acid (Hatac.H2O). Single crystal X-ray diffraction analysis revealed a μ3-hydroxo bridged Cu(II) heptanuclear complex, consisting of...
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High Pressure and Elastic properties of a Guanidinium -formate Hybrid Perovskite

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/C9DT04805G, Paper
Hong-Qiang Gao, Chao Li, Lin-Sui Li, Wen-Juan Wei, Yu-hui Tan, Yun Zhi Tang
The high pressure and elastic properties in a hybrid ABX3-type perovskite, [C(NH2)3][Cd(HCOO)3] (CdGF), based on the A-site guest molecular is revealed via combining the high-pressure synchrotron X-ray diffraction experiments with...
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Heat-resistant Pb(II)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via the aggregation-induced luminescent chromophore

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00974A, Communication
Jian Lu, Shuai-Hua Wang, Yan Li, Wen-Fei Wang, Cai Sun, Pei-Xin Li, Fa-Kun Zheng, Guo-Cong Guo
The synergy of unusual X-aggregation induced luminescent chromophores and heavy Pb(II) ions has facilitated excellent X-ray scintillation of two structurally similar Pb-SMOFs, which are heat-resistant due to solvent-free lattices. Owing...
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Two [Ln4] molecular rings folded as compact tetrahedra

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01259A, Paper
Guillem Aromi, Olivier Roubeau, Leoní Alejandra Barrios, Jorge Salinas-Uber
The design of photoactive ligands may provide an entry into multifunctional molecular nanomagnets. We report here the design and synthesis of a new multitopic chelating ligand, 1,2-bis-(5-(N’-(pyridine-2-yl-methylene)-carbohydrazide)-3-methyl-thien-3-yl)-cyclopentene (H2L), bearing a...
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Reactive metallocene cations as sensitive indicators of gas-phase oxygen and water

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00798F, Paper
Anuj Joshi, Sofia Donnecke, Ori Granot, Dongju Shin, Scott Collins, Irina Paci, J. Scott McIndoe
Gas-phase oxidation of air-sensitive organometallic compounds does not proceed to a significant extent in mass spectrometric analysis unless a vacant coordination site is generated, making nitrogen generators a suitable source of desolvation gas.
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Amide and ester derivatives of chlorido[4-carboxy-1,2-disalicylideneaminobenzene]iron(III) as necroptosis and ferroptosis inducers

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00168F, Paper
Daniel Baecker, Benjamin N. Ma, Jessica Sagasser, Lukas Schultz, Carina Hörschläger, Maria Weinreich, Lucy Steiner, Brigitte Kircher, Ronald Gust
Amide and ester derivatives of chlorido[4-carboxy-1,2-disalicylideneaminobenzene]iron(III) were synthesized and characterized as necroptosis and ferroptosis inducers using the acute myeloid leukemia cell line HL-60.
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Crystal structure, chemical bonding, and electrical and thermal transport in Sc5Rh6Sn18

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00324G, Paper
Manuel Feig, Lev Akselrud, Walter Schnelle, Vadim Dyadkin, Dmitry Chernyshov, Alim Ormeci, Paul Simon, Andreas Leithe-Jasper, Roman Gumeniuk
Single crystals of the superconductor Sc5Rh6Sn18 were grown from Sn-flux.
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A molecular boron cluster-based chromophore with dual emission

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00826E, Paper
Kierstyn P. Anderson, Mary A. Waddington, Gary J. Balaich, Julia M. Stauber, Nicholas A. Bernier, Justin R. Caram, Peter I. Djurovich, Alexander M. Spokoyny
Bromination of the luminescent borane, anti-B18H22, via electrophilic substitution using AlCl3 and Br2, yields the monosubstituted derivative 4-Br-anti-B18H21 as an air-stable crystalline solid.
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Double addition of phenylacetylene onto the mixed bridge phosphinito–phosphanido Pt(I) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)](Pt–Pt)

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00923G, Paper
Stefano Todisco, Mario Latronico, Vito Gallo, Nazzareno Re, Alessandro Marrone, Iogann Tolbatov, Piero Mastrorilli
Double addition of phenylacetylene onto the Pt(I)–Pt(I) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)] (Pt–Pt) affords the η1-alkenyl-μ,η12-alkynyl complex [(η1-trans-(Ph)HCCH)(PHCy2)Pt(μ-PCy2)(μ,η12-PhCC)Pt{κP-P(O)Cy2}(PHCy2)].
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Oxacalix[4]arene Derived Dual Sensing Fluorescence Probe for the Detection of As (V) and Cr (VI) Oxyanions in Aqueous Media

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00452A, Paper
Shuvankar Dey, Anshu Kumar, Pradip Mondal, Krunal M. Modi, Deepak Chopra, Vinod K. Jain
An oxacalix[4]arene-Ce (III) complex viz. L-Ce(III) has been introduced for selective detection of As (V) and Cr (VI) oxyanions in aqueous medium. Binding mode of L-Ce(III) + AsO43-/ CrO42- was...
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Tin based organic-inorganic hybrid semiconductors with reversible phase transition and dielectric anomaly

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01401J, Paper
Zhenhong Wei, Xiuli You, Jiaojiao Yao
Organic−inorganic hybrid materials with perovskite structure have recently attracted tremendous interest due to their structural tunability and rich functional properties, such as phase transition and photoelectric properties. Within this context,...
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Amorphous Co-doped MoSex Effectively Enhances Photocatalysis in Visible Light

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01295E, Paper
Rui Feng, Rong Wu, Yuncheng Cao, Xiaolin Guo, Xu Ma
Molybdenum selenide has great potential for degradation of water pollutants,but its performance is limited by the active sites and recombination of photogenerated electron-hole pairs. In this study, amorphous Co-doped MoSex...
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Luminescent lanthanide complexes with a pyridine-bis(carboxamide)-bithiophene sensitizer showing wavelength-dependent singlet oxygen generation

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01034K, Paper
Katherine R. Johnson, Sebastian B. Vittardi, Manuel A. Gracia-Nava, Jeffrey J. Rack, Ana de Bettencourt-Dias
A new pyridine-bis(carboxamide)-based ligand with a bithiophene pendant, 2Tcbx, was synthesized.
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Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in Knoevenagel condensation reaction

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00444H, Paper
Jingyang Niu, Hui Kong, Peipei He, Zongfei Yang, Qiaofei Xu, Jiawei Wang, Ran Ban, Pengtao Ma, Jingping Wang
Three sandwich-type TM-containing (TM = transition metal) organophosphonate-based polyoxotungstate clusters, [TM(H2O)4(SeW6O21)2{Co(OOCCH2NCH2PO3)2}3]12– (TM = Co, Ni), have been successfully synthesized, which is the first reported TMs-containing organophosphonate-based selenotungstates. They were structurally...
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Synthesis and reactivity of cyclobutadiene nickel bromide

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01510E, Paper
Nikita V. Shvydkiy, Egor A. Dlin, Klimentiy V. Ivanov, Anastasiya G. Buyanovskaya, Yulia V. Nelyubina, Dmitry S. Perekalin
The reaction of NiBr2 with 3-hexyne provides new access to various cyclobutadiene nickel complexes.
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Rapid mechanochemical synthesis of metal–organic frameworks using exogenous organic base

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01240H, Paper
Zihao Wang, Zongzhe Li, Marcus Ng, Phillip J. Milner
We describe the mechanochemical, solvent-free synthesis of metal–organic frameworks using liquid organic base for the first time.
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Metal–metal bond formation of triplatinum cores with a silver(I) ion affording a heptanuclear cluster bearing four Pt–Ag bonds

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01227K, Communication
Natsuki Yabune, Hiroshi Nakajima, Takanori Nishioka
A triplatinum complex with chelating NHC ligands reacts with Ag(I) and affords a heptanuclear cluster bearing four Ag–Pt bonds.
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Amorphous Ni–Fe–Se hollow nanospheres electrodeposited on nickel foam as a highly active and bifunctional catalyst for alkaline water splitting

Dalton Trans., 2020, Advance Article
DOI: 10.1039/C9DT04755G, Paper
Xuerui Yi, Xiaobo He, Fengxiang Yin, Biaohua Chen, Guoru Li, Huaqiang Yin
The electrodeposition of amorphous Ni–Fe–Se hollow nanospheres as a highly efficient bifunctional catalyst for the sustainable production of hydrogen.
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Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00033G, Paper
Xiao-Quan Zhu, Wen-Hai Cao, Shao-Dong Su, Xin-Tao Wu, Tian-Lu Sheng
The SMM behavior weakens until its disappearance with the substituent changing from Br, H to OMe in the quinonoid-bridged dicobalt compounds [(N4Co)2LX](ClO4)2, (X = H, Cl, Br, and OMe).
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Recent advances in coordination-driven polymeric gel materials: design and applications

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00863J, Frontier
Papri Sutar, Tapas Kumar Maji
In this article, we reviewed recent advances in coordination-driven polymeric gels and highlighted their design and applications in various fields.
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Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(II) template

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00466A, Paper
Manas Khatua, Bappaditya Goswami, Subhas Samanta
A Ni(II)-template directed dehydrogenative imine formation reaction via ligand reduction leading to the formation of new pincer-like azo imine ligands is described.
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Influence of magnetic dilution on relaxation processes in a solid solution comprising tetrahedral Co/ZnII complexes

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01058H, Paper
Magdalena Ceglarska, Olaf Stefańczyk, Shin-ichi Ohkoshi, Anna M. Majcher-Fitas
Dilution with diamagnetic species in a SIM solid solution leads to an increase in relaxation times at low temperatures and monotonously reduces the probability of quantum tunneling of magnetization and the direct process.
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Three diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2: influences of co-substitution on the crystal structure

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01070G, Paper
Ming Wen, Cong Hu, Hongping Wu, Zhihua Yang, Xiaohong Wu, Shilie Pan
We reported the synthesis, structure, characterization and first-principles calculations of diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2, and studied the influences of co-substitution on the crystal structure.
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MnO2 flowery nanocomposites for efficient and fast removal of mercury(II) from aqueous solution: a facile strategy and mechanistic interpretation

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01054E, Paper
Sankar Das, Arnab Samanta, Kanika Kole, Gautam Gangopadhyay, Subhra Jana
MnO2 flowery nanocomposites were explored as a novel and cost effective nanoadsorbent for the fast and efficient extraction of toxic inorganic contaminants from aqueous solution.
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Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]+ complexes based on the cyclometalating and diimine ligands of this type

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00568A, Paper
Anastasia I. Solomatina, Kirill M. Kuznetsov, Vladislav V. Gurzhiy, Vladimir V. Pavlovskiy, Vitaly V. Porsev, Robert A. Evarestov, Sergey P. Tunik
New N^N and N^C luminescent ligands with solvatochromic behavior and their iridium complexes were synthesized, characterized and investigated.
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Probing the limits of linker substitution in aluminum MOFs through water vapor sorption studies: Mixed-MOF instead of mixed-linker CAU-23 and MIL-160 materials

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01044H, Paper
Carsten Schlüsener, Dustin Nils Jordan, Mergime Xhinovci, Tobie J. Matemb Ma Ntep, Alexa Schmitz, Beatriz Giesen, Christoph Janiak
We report the systematic study on the possibility of forming mixed-linker MOFs spanning between the aluminum metal-organic frameworks CAU-23 and MIL-160 with their 2,5-thiophenedicarboxylate (TDC) and 2,5 furandicarboxylate (FDC) linkers,...
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Influence of Eu valence in the optical activity of BaTiO3 decorated with CaF2 synthesized by microwave-assisted hydrothermal method

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01321H, Paper
Tatiane Strelow Lilge, Adriano Borges Andrade, Claudiane dos Santos Bezerra, Giordano Frederico da Cunha Bispo, Zélia Soares Macedo, Mario Lucio Lúcio Moreira, Mário Ernesto Giroldo Valerio
Inorganic hybrid materials are promising applications in absorbers and photon harvesting of solar irradiation, such as DSSC cell photoanodes. Moreover, the investigation of the interaction between the photoanode constituent materials...
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The role of the excited state dynamic of the antenna ligand in the Lanthanide sensitization mechanism

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01132K, Paper
María Joaquina Beltrán Leiva, Eduardo Solis Céspedes, Dayan Paez-Hernandez
A fragmentation scheme combined with a series of theoretical approximations like TD-DFT, and multiconfigurational CASSCF/NEVPT2 methods, have been used to describe the photophysical phenomena associated with the antenna effect and...
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Multicolor tunable luminescence and energy transfer of core-shell structured SiO2@Gd2O3 microspheres co-activated with Dy3+/Eu3+ under single UV excitation

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00735H, Paper
Jie Chen, Yixin Gao, Haifeng Jiang, Yan Liu, Zhaohui Jin
Optimizing structure and varing doped ions are two main strategies to obtain excellent luminescence performance. Spherical morphology is considered to be the most ideal phosphor structure due to the least...
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1,2-Insertion Reactions of Alkynes into Ge–C Bonds of Arylbromogermylene

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01223H, Paper
Tomohiro Sugahara, Arturo Espinosa Ferao, Alicia Rey, Jing-Dong Guo, Shin Aoyama, Kazunobu Igawa, Katsuhiko Tomooka, Takahiro Sasamori, Daisuke Hashizume, Shigeru Nagase, Norihiro Tokitoh
1,2-insertion reactions of alkynes into the Ge–C bonds in dibromodigermenes afford stable crystalline bromovinylgermylenes. In contrast to previously reported Lewis-base-supported vinylgermylenes, the bromovinylgermylene obtained from reaction of the bromogermylene with...
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Color Tuning in Ca3-xMx(PO4)2: Eu2+ (M = Sr, Ba) Phosphors via Cation Substitution

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01130D, Paper
Huiling Zhang, Dengwen Yuan, Xiaoyun Mi, Xiuling Liu, Jun Lin
A series of Ca3-xMx(PO4)2: Eu2+ (M = Sr, Ba) phosphors were prepared via high-temperature solid-state reaction process. The X-ray diffraction and Rietveld refinements were used to verify the incorporations of...
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Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00866D, Paper
Jun Tao, Yue Li, Min Liu, Zi-Shuo Yao
Hofmann-type spin-crossover (SCO) frameworks attract much attention due to their predictable structures and diverse SCO behaviours. In this paper, we report two isostructural two-dimensional (2D) Hofmann-type SCO frameworks [FeII(ppe)2MII(CN)4]·3H2O (ppe...
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An ultra-effective pathway for fully removing the oxygen components of graphene oxide by a flame-assisted microwave process

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01483D, Communication
Xuefeng Zou, Qin Hu, Hengxiu Yang, Feng Chen, Bin Xiang, Xinyue Liang, Qibing Wu, Hujun Shen
Here we report an ultra-effective, reliable pathway to reduce GO into graphene by an about 4-seconds flame-assisted microwave process. A holey graphene with a C/O atom ratio of 31.1, a...
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Structural, spectroscopic and electronic properties of a family of bi-octahedral Ru25+/6+ complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01325K, Paper
Shi-Rui Kang, Qin Zi Zhou, Chang-Fang Xiong, Bin Liu, John E. McGrady, Mohammed Obies, Chao Liu, Piao He, Xiao-Yi Yi
A family of Ru2 dimers, [Ru2(μ-κ2N,N’:κ2N’,N’’-dpp)2(μ-X)(X)2]q+ (X = Cl, Br, q = 0 and X = I, q = 1) is synthesized from a [Ru2(OAc)4Cl] paddlewheel starting material. The neutral...
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Modulation of the driving forces for adsorption on MIL-101 analogues by decoration with sulfonic acid functional groups: superior selective adsorption of hazardous anionic dyes

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00978D, Paper
Ji-Min Yang, Wei Zhang, Run-Zhi Zhang, Meng-Xuan Tong
MIL-101-SO3H analogues functionalized with –SO3H groups exhibited superior CR, MO and AC adsorption capacities because of their distinct adsorption mechanisms.
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Accelerating charge transfer in ultrafine NiFe-LDHs/CB interface during electrocatalyst activation process for water oxidation

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00824A, Paper
Mengke Cai, Qinglin Liu, Yiyue Zhao, Zhenyu Wang, Yinle Li, Guangqin Li
Owing to coordinating of intriguing activity and conductivity, the hybrid compositions of layered double hydroxides (LDHs) and carbon-based materials have been extensively and widely applied to evolve oxygen gas for...
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Water-locking molecule-assisted fabrication of natural-inspired Mg(OH)2 for high-efficient and economical uranium capture

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT00618A, Paper
Hengbin Xu, Zhenyuan Bai, Milin Zhang, Jun Wang, Yongde Yan, Min Qiu, Jiaming Chen
With the depletion of uranium terrestrial deposits, researchers have focused on the development of adsorbents to extract radioactive uranium from seawater/wastewater. However, there are still considerable challenges to manipulate this...
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Self-assembly of mixed-valent and heterometallic metallocycles: efficient catalyst for oxidation of alcohols to aldehydes with ambient air

Dalton Trans., 2020, Accepted Manuscript
DOI: 10.1039/D0DT01340D, Communication
Ya-Liang Lai, Xue-Zhi Wang, Rui-Rong Dai, Yong-Liang Huang, Xian-Chao Zhou, Xiao-Ping Zhou, Dan Li
Two mixed-valent CuII/CuI and two heterometallic CuII/AgI metallocycles have been synthesized by the assembly of designed metalloligands and CuI/AgI ions, respectively. The CuII/CuI metallocycle can catalyze oxidation of alcohols to...
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Copolymerization of CHO/CO2 catalyzed by a series of aluminum amino-phenolate complexes and insights into structure–activity relationships

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00726A, Paper
Hart Plommer, Laura Stein, Jennifer N. Murphy, Nduka Ikpo, Nelaine Mora-Diez, Francesca M. Kerton
Five aluminum catalysts demonstrated different selectivity and activity during reactions of carbon dioxide and epoxides.
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Highly covalent metal–ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01287D, Paper
Jacqueline Gianino, Seth N. Brown
Describing the π bonding in ruthenium and osmium iminoxolenes as highly covalent allows one to experimentally dissect the electron distribution in these compounds.
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Self-assembled gold nanoparticles and amphiphile peptides: a colorimetric probe for copper(II) ion detection

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00844C, Paper
Juliane N. B. D. Pelin, Charlotte J. C. Edwards-Gayle, Herculano Martinho, Barbara B. Gerbelli, Valeria Castelletto, Ian W. Hamley, Wendel A. Alves
We show that arginine/phenylalanine based peptides can be used to control the aggregation of gold nanoparticles in different ways. The arrangement provides a colorimetric approach to detect Cu2+ ions in water.
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Facile synthesis of Mn-doped NiCo2O4 nanoparticles with enhanced electrochemical performance for a battery-type supercapacitor electrode

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01177K, Paper
To Van Nguyen, Le The Son, Vu Van Thuy, Vu Dinh Thao, Masahito Hatsukano, Koichi Higashimine, Shinya Maenosono, Sang-Eun Chun, Tran Viet Thu
We report the synthesis of manganese-doped nickel cobalt oxide (Mn-doped NiCo2O4) nanoparticles (NPs) by an efficient hydrothermal and subsequent calcination route.
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Conductivity and mixed conductivity of a novel dense diffusion barrier and the sensing properties of limiting current oxygen sensors

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00496K, Paper
Ke Shan, Zhong-Zhou Yi, Xi-Tao Yin, Davoud Dastan, Hamid Garmestani
First-principles calculations were used to explore the effect of various Y-doping levels on the electrical conductivity of SrTiO3.
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Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01241F, Paper
Jingjing Liu, Lydia E. Nodaraki, Philip J. Cobb, Marcus J. Giansiracusa, Fabrizio Ortu, Floriana Tuna, David P. Mills
Two families of lanthanide(III) phospholyl borohydride complexes are reported (carbon = grey, hydrogen = white, oxygen = red, boron = yellow, phosphorus = magenta, potassium = blue, lanthanides = teal; only BH4 hydrogens are shown for clarity).
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Structure and magnetic properties of a novel heteroheptanuclear metal string complex [Ni3Ru2Ni2(μ7-teptra)4(NCS)2](PF6)

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00156B, Paper
Cheng-Chang Chiu, Ming-Chuan Cheng, Sheng-Hsiang Lin, Cheng-Wei Yan, Gene-Hsiang Lee, Mu-Chieh Chang, Tien-Sung Lin, Shie-Ming Peng
A novel heteroheptanuclear metal string complex was synthesized by using nickel and ruthenium metal ions to explore the electronic structure and magnetic property.
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Theoretical rationalization for the equilibrium between (μ–η2:η2-peroxido)CuIICuII and bis(μ-oxido)CuIIICuIII complexes: perturbational effects from ligand frameworks

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01001D, Paper
Tsukasa Abe, Yoshihito Shiota, Shinobu Itoh, Kazunari Yoshizawa
DFT calculations are carried out to investigate the geometric effects of the supporting ligands in the relative energies of the (μ–η22-peroxido)CuIICuII complex 1 and the bis(μ-oxido)CuIIICuIII complex 2.
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Structural design of cubic Sr,V:CeFeO3 thin films with a strong magneto-optical effect and high compatibility with a Si substrate

Dalton Trans., 2020, Advance Article
DOI: 10.1039/C9DT04837E, Paper
Nanxi Lin, Shengnan Zhang, Haixin Chen, Yunjin Chen, Xin Chen, Yongfan Zhang, Xiaolin Hu, Naifeng Zhuang
Orthorhombic CeFeO3 is optimized to be cubic perovskite with high compatibility with Si substrate by introducing Sr, V ions into lattice. Cubic Sr,V:CeFeO3 film exhibit strong magneto-optical effect due to spin-coupling hybrid of Ce 4f with Fe/V 3d.
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Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01031F, Paper
Pavel S. Kulyabin, Dmitry V. Uborsky, Alexander Z. Voskoboynikov, Jo Ann M. Canich, John R. Hagadorn
Pyridylamido hafnium complexes with a silylene bridge were synthesized, characterized with X-ray crystal structure analysis and shown to polymerize 1-hexene and propene and copolymerize ethylene and 1-octene.
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Enhancing the energy barrier by replacing the counterions in two holmium(III)-pentagonal bipyramidal single-ion magnets

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00905A, Paper
Lei-Lei Li, Hong-Dan Su, Shuang Liu, Wen-Zhen Wang
Upon changing the employed halide ions as counterions, Ueff increases from 290 K to 320 K in two HoIII-SIMs with pentagonal-bipyramidal structures.
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