Dalton Transactions

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Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in NiII coordination chemistry: the case of PO3F2- group

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT02204A, CommunicationDespina Dermitzaki, Catherine P. Raptopoulou, Vassilis Psycharis, Albert Escuer, Spyros P. Perlepes, Theocharis C. Stamatatos
The bridging potency of the O-rich PO3F2- group in NiII/oximate chemistry has been studied leading to interesting coordination compounds and revealing an unprecedented PO3F2- to P2O5F22- in situ transformation.
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An iron(II) complex featuring [small kappa]3 and labile [small kappa]2-bound PNP pincer ligands - striking differences between CH2 and NH spacers

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01933D, CommunicationBernhard Bichler, Mathias Glatz, Berthold Stoger, Kurt Mereiter, Luis F. Veiros, Karl Kirchner
By changing the spacer between the pyridine and the PPh2 unit from CH2 to NH the cationic octahedral complex [Fe([small kappa]3-P,N,P-PNP)([small kappa]2-P,N-PNP)Cl]+ featuring a [small kappa]2-P,N bound PNP ligand instead of [Fe([small kappa]3-P,N,P-PNP)Cl2] is formed when FeCl2 is reacted with a PNP-Ph ligand.
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Synthesis of peroxo-titanium decorated H-titanate-nanotube-based hierarchical microspheres with enhanced visible-light photocatalytic activity in degradation of Rhodamine B

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01654H, CommunicationYong Qiu, Xinjun Li
Peroxo-titanium decorated H-titanate-nanotube-based hierarchical microspheres were prepared by a hydrothermal method, and they exhibited enhanced visible-light activity.
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Lead and tin [small beta]-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the [small beta]-diketiminato [gamma]-carbon

14 hours 3 min ago

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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The energetics of isomerisation in Keggin-series aluminate cations

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01763C, CommunicationC. Andre Ohlin, James R. Rustad, William H. Casey
The energetics of the Keggin isomers of the trideca-aluminate ion and their interconversion via cap rotation is investigated using DFT.
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Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01932F, PaperSara R. M. M. de Aguiar, Ozgur Oztopcu, Berthold Stoger, Kurt Mereiter, Luis F. Veiros, Ernst Pittenauer, Gunter Allmaier, Karl Kirchner
A series of six-coordinate neutral 16e halocarbonyl Mo(II) complexes of the type [Mo(PNPMe-iPr)(CO)X2] (X = I, Br, Cl) were prepared and fully characterized.
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Phosphine complexes of aluminium(III) halides - preparation and structural and spectroscopic systematics

14 hours 3 min ago

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

14 hours 3 min ago

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

14 hours 3 min ago

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

14 hours 3 min ago

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

14 hours 3 min ago

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

14 hours 3 min ago

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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DNA fragment conformations in adducts with Kiteplatin

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01796J, PaperNicola Margiotta, Emanuele Petruzzella, James A. Platts, Shaun T. Mutter, Robert J. Deeth, Rosa Ranaldo, Paride Papadia, Patricia A. Marzilli, Luigi G. Marzilli, James D. Hoeschele, Giovanni Natile
The anticancer-active platinum complex with cis-1,4-diaminocyclohexane has proved to be very valuable in detecting multiple conformers in adducts with oligonucleotides.
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Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds

14 hours 3 min ago

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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Direct synthesis of the Janus-head ligand (MePy)3Sn-Sn(MePy)3 using an unusual pyridyl-transfer reaction (MePy = 6-methyl-2-pyridyl)

14 hours 3 min ago

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT02216E, CommunicationRaul Garcia-Rodriguez, Dominic S. Wright
The in situ reaction of the tripodal anion [EtAl(MePy)3]- (MePy = 6-Me-2-py) with SnCl2 gives the Janus-head ligand (MePy)3Sn-Sn(MePy)3, containing a Sn-Sn bond, through a novel, one-pot reaction involving a combination of pyridyl transfer and metal-oxidation.
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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

14 hours 3 min ago

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

14 hours 3 min ago

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

14 hours 3 min ago

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)

14 hours 3 min ago

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

14 hours 3 min ago

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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