Dalton Transactions

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Hydrogen bonds and steric effects induced structural modulation of three layered iodoplumbate hybrids from nonperovskite to perovskite structure

25 July, 2014 - 21:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01181C, PaperTanlai Yu, Lin Zhang, Junju Shen, Yangbo Fu, Yunlong Fu
Structural modulation from perovskite to nonperovskite is strongly correlated to steric effects and hydrogen bonding interaction and their band gaps also reveal an interesting correlation with the structural modulation.
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A novel dinuclear ruthenium(II)-copper(II) complex-based luminescent probe for hydrogen sulfide

25 July, 2014 - 21:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01333F, PaperZhiqiang Ye, Xin An, Bo Song, Wenzhu Zhang, Zhichao Dai, Jingli Yuan
A dinuclear ruthenium(II)-copper(II) complex that can rapidly and specifically respond to hydrogen sulfide with a remarkable luminescence enhancement has been successfully developed.
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Copper(II) complexes of bis(aryl-imino)acenaphthene ligands: synthesis, structure, DFT studies and evaluation in reverse ATRP of styrene

25 July, 2014 - 21:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01069H, PaperChristophe Fliedel, Vitor Rosa, Carla I. M. Santos, Pablo J. Gonzalez, Rui M. Almeida, Clara S. B. Gomes, Pedro T. Gomes, M. Amelia N. D. A. Lemos, Gabriel Aullon, Richard Welter, Teresa Aviles
[CuCl2(Ar-BIAN)] complexes are synthesised and characterised, showing MeOH/O2 driven reduction to [CuCl(Ar-BIAN)]2, and are evaluated in reverse ATRP of styrene.
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Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12279-12287
DOI: 10.1039/C4DT01343C, PaperK. S. Sandhya, Cherumuttathu H. Suresh
The molecular electrostatic potential minimum of metal-hydrides (Vmin) is used as a sensitive electronic descriptor to tune H2 elimination reactions.
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Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12251-12262
DOI: 10.1039/C4DT01102C, PaperMatthieu Teci, Eric Brenner, Dominique Matt, Christophe Gourlaouen, Loic Toupet
The confining properties of N-heterocyclic carbenes with alkylfluorenyl substituents have been investigated.
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Assembly and photocatalysis of two novel 3D Anderson-type polyoxometalate-based metal-organic frameworks constructed from isomeric bis(pyridylformyl)piperazine ligands

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12272-12278
DOI: 10.1039/C4DT01211A, PaperXiuli Wang, Zhihan Chang, Hongyan Lin, Aixiang Tian, Guocheng Liu, Juwen Zhang
Two 3D Anderson-based MOFs constructed from two isomeric bis(pyridylformyl)piperazine have been synthesized. The isomeric ligands and Anderson-type polyanions play key roles in the construction of the final frameworks.
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Thermodynamics for complex formation between palladium(II) and oxalate

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12243-12250
DOI: 10.1039/C4DT01062K, PaperRadomir Pilny, Premysl Lubal, Lars I. Elding
Overall stability constants and thermodynamic parameters for formation of palladium(II) oxalato complexes have been determined. The chelate effect is discussed.
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Polyaniline shell cross-linked Fe3O4 magnetic nanoparticles for heat activated killing of cancer cells

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12263-12271
DOI: 10.1039/C4DT00898G, PaperSuman Rana, Neena V. Jadhav, K. C. Barick, B. N. Pandey, P. A. Hassan
Enhancement in heat activated killing of cancer cells under an AC magnetic field using polyaniline shell cross-linked Fe3O4 magnetic nanoparticles.
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A comparative study of structural patterns and luminescent properties of silver-DAFO complexes with carborane- versus "classical"-diphosphanes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12214-12220
DOI: 10.1039/C4DT00797B, PaperOlga Crespo, M. Concepcion Gimeno, Antonio Laguna, Rosie Marriott, Jose M. Saez-Rocher, M. Dolores Villacampa
Silver DAFO complexes with di- or mono-diphosphane auxiliary ligands exhibit emissions that seem to be originated from IL (DAFO) transitions, modified upon coordination.
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A Eu2+ and Mn2+-coactivated fluoro-apatite-structure Ca6Y2Na2(PO4)6F2 as a standard white-emitting phosphor via energy transfer

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12373-12379
DOI: 10.1039/C4DT01021C, PaperNing Guo, Hongpeng You, Chengzheng Jia, Ruizhuo Ouyang, Dahui Wu
A sample with a composition of CYNP:0.01Eu2+,0.025Mn2+ has CIE coordinates of (0.335, 0.337), which is very close to the coordinates for pure white light (0.333, 0.333).
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Solvothermal syntheses and characterizations of three new holmium selenidostannates(IV): a rare example of adamantane-like [Sn4Se10]4- selenidostannate(IV) with lanthanide complexes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12306-12312
DOI: 10.1039/C4DT00972J, PaperHong-Ping Xiao, Jian Zhou, Xiao-Li Wang, Hua-Hong Zou, Rong-Qing Zhao, Hong Xiao
The presented compound is a rare example of an adamantane-like [Sn4Se10]4- unit with lanthanide complexes as counterions.
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Magnetite nanoparticles coated with ruthenium via SePh layer as a magnetically retrievable catalyst for the selective synthesis of primary amides in an aqueous medium

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12365-12372
DOI: 10.1039/C4DT01189A, PaperHemant Joshi, Kamal Nayan Sharma, Alpesh K. Sharma, Om Prakash, Arvind Kumar, Ajai Kumar Singh
For the first time, Fe3O4@SiO2@SePh@Ru(OH)x NPs were synthesized as an efficient catalyst in the conversion of aldehydes, nitriles and benzylamine to amides in water.
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Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12124-12134
DOI: 10.1039/C4DT01002G, PerspectiveLudovic Castro, Christos E. Kefalidis, David McKay, Stephanie Essafi, Lionel Perrin, Laurent Maron
DFT calculations can provide useful insights into low-valent f-element single electron transfer reactivity.
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Monitoring the formation of carbide crystal phases during the thermal decomposition of 3d transition metal dicarboxylate complexes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12236-12242
DOI: 10.1039/C4DT01207K, PaperZachary J. Huba, Everett E. Carpenter
Presented is a detailed study of the decomposition of late row 3d metal dicarboxylate complexes. It is shown that these complexes can be efficient single molecule precursors for the formation of carbide crystal phases.
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Benzo annulated cycloheptatriene PCP pincer iridium complexes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12187-12199
DOI: 10.1039/C4DT00885E, PaperWolfgang Leis, Sophie Wernitz, Benedikt Reichart, David Ruckerbauer, Johannes Wolfram Wielandt, Hermann A. Mayer
Chemical conversions of a cycloheptatriene iridium pincer complex were studied by NMR and MS techniques as well as DFT calculations.
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Bioinorganic modeling chemistry of carbon monoxide dehydrogenases: description of model complexes, current status and possible future scopes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12135-12145
DOI: 10.1039/C4DT00729H, PerspectiveAmit Majumdar
The present status and future scopes for the bioinorganic modeling chemistry of carbon monoxide dehydrogenases are described.
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Cytochrome P450-catalyzed dealkylation of atrazine by Rhodococcus sp. strain NI86/21 involves hydrogen atom transfer rather than single electron transfer

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12175-12186
DOI: 10.1039/C4DT00891J, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Armin H. Meyer, Agnieszka Dybala-Defratyka, Peter J. Alaimo, Inacrist Geronimo, Ariana D. Sanchez, Christopher J. Cramer, Martin Elsner
Isotope effects and position-specificity of hydroxylation pinpoint hydrogen atom transfer (HAT) as prevailing mechanism in P450 catalyzed N-dealkylation of atrazine.
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Chemical tuning of the magnetic relaxation in dysprosium(III) mononuclear complexes

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12146-12149
DOI: 10.1039/C4DT00846D, CommunicationLuke J. Batchelor, Irene Cimatti, Regis Guillot, Floriana Tuna, Wolfgang Wernsdorfer, Liviu Ungur, Liviu F. Chibotaru, Victoria E. Campbell, Talal Mallah
Deprotonation of the organic ligand of a ten coordinated dysprosium(III) complex exhibiting a slow relaxation of the magnetization leads to a change in the metal local environment and speeds up the relaxation process.
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Aggregation-induced white-light emission from the triple-stranded dinuclear Sm(III) complex

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12228-12235
DOI: 10.1039/C4DT00820K, PaperJiaqi Leng, Hongfeng Li, Peng Chen, Wenbin Sun, Ting Gao, Pengfei Yan
A triple-stranded dinuclear Sm(III) complex based on bis-[small beta]-diketone was synthesized, which shows excitation wavelength and concentration dependent white-light emission.
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Hydration properties determining the reactivity of nitrite in aqueous solution

25 July, 2014 - 21:54

Dalton Trans., 2014, 43,12164-12174
DOI: 10.1039/C4DT00273C, PaperSaowapak Vchirawongkwin, Chinapong Kritayakornupong, Anan Tongraar, Viwat Vchirawongkwin
Quantitative analysis of the QMCF MD trajectories requires a rigorous method to organize the chaotic data into informative data, clarifying the anisotropy of the hydration structure around the nitrite ion. These results suggested the steric effects of water in the bond directions.
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