Dalton Transactions

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Cr1/3Zr2P3O12 with unusual tetrahedral coordination of Cr(III): peculiarities of the formation, thermal stability and application as a pigment

25 August, 2014 - 06:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02001D, PaperNataliia Gorodylova, Veronika Kosinova, Petra Sulcova, Petr Belina, Milan Vlcek
All the known chromium (III) NASICON-related phosphates are considered as solid solutions. In these compounds chromium atoms share their position in the basic framework of the crystal lattice with another...
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Study of picosecond processes of an intercalated dipyridophenazine Cr(III) complex bound to defined sequence DNAs using transient absorption and time-resolved infrared methods

25 August, 2014 - 06:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT01989J, CommunicationStephen J Devereux, Paraic M Keane, Suni Vasudevan, Igor V. Sazanovich, Michael Towrie, Qian Cao, Xue-Zhong Sun, Michael W George, Christine J Cardin, Noel A. P. Kane Maguire, J M Kelly, Susan J Quinn
Picosecond transient absorption (TA) and time-resolved infrared (TRIR) measurements of rac-[Cr(phen)2(dppz)]3+ (1) intercalated into double-stranded guanine-containing DNA reveal that the excited state is very rapidly quenched. As no evidence was...
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Lead and tin [small beta]-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the [small beta]-diketiminato [gamma]-carbon

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13803-13814
DOI: 10.1039/C4DT01714E, PaperLisa A.-M. Harris, Eric C. Y. Tam, Martyn P. Coles, J. Robin Fulton
Reactivity at the [gamma]-carbon of [small beta]-diketiminato ligands of tin and lead is competitive with terminal amido- and anilido ligands.
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Phosphine complexes of aluminium(III) halides - preparation and structural and spectroscopic systematics

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT02051K, PaperJennifer Burt, William Levason, Mark E. Light, Gillian Reid
The synthesis, structures and spectroscopic characterisations of 4-, 5- and 6-coordinate phosphine complexes of aluminium(III) halides are described. Arsines in contrast form only 4-coordinate complexes.
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Magnetically stabilized Fe8([small mu ]4-S)6S8 clusters in Ba6Fe25S27

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01182A, PaperTimothy E. Stacey, Christopher K. H. Borg, Peter J. Zavalij, Efrain E. Rodriguez
We have prepared Ba6Fe25S27, and studied its magnetic properties and electronic structure. Using a combined DFT and molecular orbital based approach, we provide an interpretation of the bonding and stability within Ba6M25S27 (M = Fe, Co, Ni) and related M9S8 phases.
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A computational study of the mechanism for water oxidation by (bpc)(bpy)RuIIOH2

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13776-13782
DOI: 10.1039/C4DT02113D, PaperYing Wang, Marten S. G. Ahlquist
A mechanistic study on the catalytic cycle water oxidation with 1 [(bpc)(bpy)RuIIOH2]+ (Hbpc = 2,2[prime or minute]-bipyridine-6-carboxylic acid, bpy = 2,2[prime or minute]-bipyridine) is described in this paper.
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Aqueous stabilisation of carbon-encapsulated superparamagnetic [small alpha]-iron nanoparticles for biomedical applications

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13764-13775
DOI: 10.1039/C4DT00085D, PaperNoemi Aguilo-Aguayo, Lionel Maurizi, Sandra Galmarini, Marie Gabrielle Ollivier-Beuzelin, Geraldine Coullerez, Enric Bertran, Heinrich Hofmann
Carbon-encapsulated superparamagnetic [small alpha]-Fe nanoparticles were stabilised in aqueous media allowing their cell internalisation.
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New PtII diimine-dithiolate complexes containing a 1,2-dithiolate-1,2-closo-dicarbadodecarborane: an experimental and theoretical investigation

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13649-13660
DOI: 10.1039/C4DT01929F, PaperAnna Pintus, M. Carla Aragoni, Simon J. Coles, Susanne L. Coles (nee Huth), Francesco Isaia, Vito Lippolis, Ana-Daniela Musteti, Francesc Teixidor, Clara Vinas, Massimiliano Arca
A new class of solvatochromic diimine-dithiolate complexes [Pt(N^N)(dtoc)] (dtoc2- = 1,2-dithiolate-1,2-closo-dicarbadodecaborane) is reported.
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The crystal structure of Li2B3PO8 with the 2D-linkage of BO3, BO4 and PO4 groups

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01670J, CommunicationToru Hasegawa, Hisanori Yamane
Li2B3PO8 crystallizes in a triclinic cell (space group P[1 with combining macron], Z = 8) and consists of sheets formed by the linkage of triangular BO3 and tetrahedral BO4 and PO4 groups. The sheets are stacked along the b-axis. Li2B3PO8 is the first example of a borophosphate, having a two-dimensional network structure of triangular BO3 and tetrahedral BO4 and PO4.
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Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01553C, PaperM. Albrecht, E. Isaak, H. Shigemitsu, V. Moha, G. Raabe, R. Frohlich
The terpenols L(-)-borneol, (1S2S3S5R)-3-pinanol, (-)-menthol, and (-)-myrtenol are easily available chiral alcohols for the preparation of enantiomerically pure catechol esters 1-4-H2.
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A Cu(II) complex of an imidazolium-based ionic liquid: synthesis, X-ray structure and application in the selective electrochemical sensing of guanine

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01759E, PaperAmanpreet Singh, Ajnesh Singh, Narinder Singh
A Cu(II) complex of the imidazolium cation was explored as an electrochemical sensor for guanine, with a high selectivity and low detection limit of 45 nM.
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Mechanistic investigation of the cleavage of phosphodiester catalyzed by a symmetrical oxyimine-based macrocyclic dinuclear zinc complex: a DFT study

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01491J, PaperXuepeng Zhang, Xiaowei Zheng, David Lee Phillips, Cunyuan Zhao
Detailed investigation of the hydrolysis mechanism of a DNA dinucleotide analogue promoted by a dinuclear zinc-complex in nine proposed pathways.
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Ammonium- and phosphonium-based temperature control-type polyoxometalate ionic liquids

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13591-13595
DOI: 10.1039/C4DT01146E, PaperYunyan Li, Xuefei Wu, Qingyin Wu, Hong Ding, Wenfu Yan
Ammonium- and phosphonium-based polyoxometalate ionic liquids have been synthesized and characterized. They are temperature control-type polyoxometalate ionic liquids and can exhibit a phase transformation below 100 [degree]C.
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Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(I) and Ni(II)

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01742K, PaperJoseph H. Rivers, Richard A. Jones
The synthesis and structures of new mononuclear complexes of the 3,4-bis(trifluoromethyl)pyrrolyl ligand (3,4-(CF3)2-Pyr-) with Rh(I) and Ni(II) are reported.
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The stability of [small eta]2-H2 borane complexes - a theoretical investigation

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13571-13577
DOI: 10.1039/C4DT00019F, PaperLaszlo Konczol, Gabor Turczel, Tamas Szpisjak, Denes Szieberth
A comprehensive quantum chemical study reveals the electronic structure and stability of novel [small eta]2-H2 BR3 complexes. The electronic effects of substituents are investigated using NBO analysis and MO theory. A new type of natural pentavalent borane compound is also presented.
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Intrinsic optical bistability and frequency upconversion in Tm3+-Yb3+-codoped Y2WO6 phosphor

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13563-13570
DOI: 10.1039/C4DT01266F, PaperAbhishek Kumar Soni, Vineet Kumar Rai
Intrinsic optical bistability (IOB) behaviour in the Tm3+-Yb3+ codoped Y2WO6 phosphor.
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Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts

25 August, 2014 - 06:54

Dalton Trans., 2014, 43,13545-13556
DOI: 10.1039/C4DT01758G, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Claire L. McMullin, Natalie Fey, Jeremy N. Harvey
Reaction pathways for oxidative addition of phenyl halides to palladium complexes have been investigated computationally for L = PCy3, PPh3, PtBu3 and SPhos.
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F, Ca co-doped TiO2 nanocrystals with enhanced photocatalytic activity

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01908C, CommunicationWeiwei Fu, Shuang Ding, Ying Wang, Lele Wu, Daming Zhang, Zhengwei Pan, Runwei Wang, Zongtao Zhang, Shilun Qiu
F, Ca co-doped TiO2 exhibited a higher photocatalytic activity because of the smaller band gap from F doping and the effect of smaller crystal size from Ca doping.
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Scandium carbide/cyanide alloyed cluster inside fullerene cage: synthesis and structural studies of Sc3([small mu ]3-C2)([small mu ]3-CN)@Ih-C80

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01781A, PaperTaishan Wang, Jingyi Wu, Yongqiang Feng
A new metallofullerene Sc3(C2)(CN)@Ih-C80 encaging a scandium carbide/cyanide alloyed cluster was investigated.
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Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy

25 August, 2014 - 06:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01822B, PaperChristophe Gourlaouen, Chantal Daniel
Theoretical "spin-free" (in black) and "spin-orbit" (in red) absorption spectra of [Pt(tpy)Cl]+ and electronic densities characterizing the main intense bands MLCT/XLCT at 384 nm, and MLCT/LC at 326 nm and 250 nm (the experimental spectrum is shown in the inset).
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