Dalton Transactions

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P,C-bond cleavage in the ligand sphere of a nickel(II) complex

2 December, 2014 - 06:17

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C4DT02158D, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Simon P. Walg, Alexandra D. Schmidt, Marcus Schmitz, Saeid Farsadpour, Johannes Lang, Mark Niebergall, Yu Sun, Peter W. Roesky, Gereon Niedner-Schatteburg, Werner R. Thiel
P,C-bond cleavage at a pyrimidinyl ligand results in a pentacoordinate nickel(II) complex coordinated by a carbanionic ligand.
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Assembly of a M4L4 "folded-cube" using a T-shaped, right-angled ligand

2 December, 2014 - 06:17
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03198A, CommunicationIsmail Elguraish, Kelong Zhu, Leslie A Hernandez, Hazem Amarne, Jingwei Luo, Nicholas V Vukotic, Stephen J Loeb
A new pyridine ligand based on a T-shaped 2,4,7 trisubstituted benzimidazole framework was synthesized with a 90o angle between the two nitrogen donors. When combined with convergent [Pt(dppp)]2+ corners, eight...
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Ferromagnetic Ordering in the Radical Cation Salt BBDTA[round bullet, filled]Au(CN)2 at 8.2 K

2 December, 2014 - 06:17
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03208J, CommunicationWataru Fujita
An organic radical cation salt, BBDTA[round bullet, filled]Au(CN)2, with a slipped [small pi]-stacking columnar structure and intercolumnar short contacts, shows ferromagnetic ordering at 8.2 K, the highest reported temperature among the BBDTA+ cation...
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Manganese-Calcium Clusters Supported by Calixarenes

2 December, 2014 - 06:17
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02952F, PaperRebecca Olivia Fuller, George Koutsantonis, Ivan Lozic, Mark Ian Ogden, Brian W. Skelton
The structure of the oxygen-evolving complex of photosystem II, which contains a cubane-like metal-oxo cluster incorporating four manganese(III,IV) cations, along with a calcium cation, has focussed attention on synthetic analogues...
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Neutral Diiron(III) Complexes with Fe2(-E)2 (E = O, S, Se) Core Structures: Reactivity of an Iron(I) Dimer Towards Chalcogens

2 December, 2014 - 06:17
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03081H, PaperCameron Jones, Lea Fohlmeister, Kuduva Vignesh, Florian Winter, Boujemaa Moubaraki, Gopalan Rajaraman, Rainer Poettgen, Keith S. Murray
Three neutral bis([small micro]-chalcogenido)diiron(III) complexes, [{(N,N'-Pipiso)Fe(-E)}2] (Pipiso- = [(DipN)2C(cis-2,6-Me2NC5H8)]-, (Dip = C6H3Pri2-2,6; E = O, S or Se) have been prepared by reactions of the iron(I) dimer [{([small micro]-N,N'-Pipiso)Fe}2] with O2, S8...
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A 2,2'-bipyridine coordination complex of [ICl2]+

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03549F, CommunicationJason Laurence Dutton, David John Wilson, Andrew J. M. Shaw, Robert Corbo
The formation of a new class of I(III) compound is reported; an N,N' chelated iodine cation ([bpy-ICl2]+; bpy = 2,2'-bipyridine). The complex is obtained as an [ICl4]- salt and is...
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3D Co(II) coordination polymer with ferrimagnetic-like layers based on azide and tetrazolate bridges showing slow magnetic dynamics

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03332A, Communicationxiu mei zhang, peng Li, wei gao, jieping Liu, en qing gao
A novel 3D Co(II) coordination polymer, [Co6(4-ptz)6(N3)6]n (1) (4-ptz = 4-(pyridinyl)tetrazole), was synthesized by in situ hydrothermal reaction and characterized magnetically. Compound 1 consists of ferrimagnetic-like Co(II) layers with the...
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A new insight into the chemistry of iridium(III) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond

30 November, 2014 - 05:54

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C4DT02922D, PaperCheng-Huei Lin, Jia-Ling Liao, Yu-Sin Wu, Kuan-Yu Liao, Yun Chi, Chi-Lin Chen, Gene-Hsiang Lee, Pi-Tai Chou
Ir(pdpit)(pppo)(bptz) complex (3) reveals a PO-H-N inter- ligand H-bond from which proton transfer takes place.
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[RuV(NCN-Me)(bpy)(=O)]3+ Mediates Efficient C-H bond Oxidation from NADH Analogs in Aqueous Media rather than Water Oxidation

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02827A, CommunicationJully Patel, Karunamay Majee, Ejaz Ahamed, Koji Tanaka, Sumanta Kumar Padhi
The [RuV=O]3+ and [RuVI=O]4+ generated from [RuII(NCN-Me)(bpy)(H2O)](PF6)2 (NCN-Me is the neutral N-methyl-3,5-di(2-pyridyl)pyridinium iodide after deprotonation of the C-H bond), plays the selective role in C-H bond oxidation of 2-(pyridin-2-yl)-9,10-dihydroacridine (PADHH)...
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On the selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation - a theoretical approach

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02657H, PaperJerzy Narbutt, Artur Wodynski, Magdalena Pecul
Theoretical calculations (density functional theory with the scalar relativistic ZORA Hamiltonian) have been performed to obtain the energy and Gibbs free energy of formation of cationic 1:3 complexes of americium(III)...
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Structure Refinement and Photocatalytic Properties of Porous POMCPs by Selecting the Isomerous PYTTZ

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02960G, PaperJingQuan Sha, Liang Li, Jingwen Sun, Guangming Li, Pengfei Yan, Cheng Wang, Lian Yu
Two polyoxometalates based coordination polymers (POMCPs) constructed form Keggin POMs and Ag+ with pyttz were synthesized, [Ag4(H2pyttz-I)(H2pyttz-II)(Hpyttz-II)][HSiW12O40][round bullet, filled]4H2O (1) and [Ag4(H2pyttz-II)(Hpyttz-II)2][H2SiW12O40][round bullet, filled]3H2O (2). (H2pyttz-I = 3-(pyrid-2-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl; H2pyttz-II = 3-(pyrid-4-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl). Both compounds have...
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The First Example of a Zirconium-Oxide Based Metal-Organic Framework Constructed from Monocarboxylate Ligands

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03183K, Communicationweibin liang, Ravichandar Babarao, Michael J Murphy, Deanna Michelle D'Alessandro
This work reports the first example of a Zr-based MOF which is exclusively constructed from the monocarboxylate ligand formate. Despite the low surface area, the new material exhibits an unexpectedly...
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Flexibility windows on faujasite with explicit water and methanol extraframework content

30 November, 2014 - 05:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03150D, PaperStephen A Wells, Ka Ming Leung, Peter P Edwards, Asel Sartbaeva
We present geometric simulations on a zeolite framework (faujasite) with extraframework methanol and water contents explicitly present. We distinguish the intrinsic flexibility window of the framework from the newly defined...
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Optimizing the high-field relaxivity by self-assembling of macrocyclic Gd(III) complexes

30 November, 2014 - 05:54

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C4DT02971B, PaperDale Lawson, Alessandro Barge, Enzo Terreno, David Parker, Silvio Aime, Mauro Botta
The self-assembling of two macrocyclic Gd-chelates results in a small-sized dimeric system characterized by a remarkably high relaxivity, r1.
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Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3]

30 November, 2014 - 05:54

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C4DT02875A, PaperWei-Qiang Liao, Heng-Yun Ye, Yi Zhang, Ren-Gen Xiong
The perovskite-type hybrid thiazolium tribromocadmate(II) exhibits two phase transitions at 180 and 146 K, accompanied by remarkable dielectric responses.
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Theoretical Evidence of Metal-Induced Structural Distortions in a Series of Bipyrimidine-Based Ligands

28 November, 2014 - 05:17
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03291H, CommunicationCamille Latouche, Huriye Akdas-Kilig, Jean-Pierre Malval, Jean-Luc Fillaut, Abdou Boucekkine, Vincenzo Barone
Herein, we report theoretical evidences of the geometric changes occurring upon complexation, for a series of octupolar bipyrimidine-based ligands incorporating NPh2 terminal donor group. Ligands 1 and 2 (4,4[prime or minute],6,6[prime or minute]-Tetrakis(N,N-diphenylaminostyryl)-[2,2[prime or minute]]bipyrimidine and...
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Density Functional Theory Calculations of Rh-[small beta]-diketonato complexes

26 November, 2014 - 04:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02268H, PerspectiveJeanet Conradie
Density functional theory (DFT) results on the geometry, energies and charges of selected Rh-[small beta]-diketonato reactants, products and transition states are discussed. Various DFT techniques are used to increase our understanding...
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One-Pot Synthesis of an Indole-Substituted 7,8-Dicarba-nido-dodecahydroundecaborate(-1)

26 November, 2014 - 04:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03218G, PaperEvamarie Hey-Hawkins, Wilma Neumann, Rene Frank
Carbaboranes are increasingly used as pharmacophores to replace phenyl substituents in established drug molecules. In contrast to traditional organic chemistry, elaborated procedures to introduce functionality frequently fail in the case...
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Non-symmetrical aryl- and arylethynyl-substituted thioalkyl-porphyrazines for electronic materials: Synthesis, properties, and computational studies

26 November, 2014 - 04:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT03317E, PaperSandra Belviso, Mario Amati, Rocco Rossano, Alessandra Crispini, Francesco Lelj
A series of novel non-symmetrically substituted mono [small beta]-aryl and [small beta]-arylethynyl (alkylsulfanyl)porphyrazines and the corresponding Ni(II) complexes have been prepared by Suzuki-Miyaura and Sonogashira cross-coupling reactions with the aim to investigate...
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Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties

26 November, 2014 - 04:54
Dalton Trans., 2014, Accepted Manuscript
DOI: 10.1039/C4DT02537G, CommunicationYuan-Zhong Liu, Jing Wang, Yue Zhao, Lei Chen, Xue-tai Chen, Ziling Xue
Both square planar and tetrahedral isomers of the four-coordinate complex [Co(BctBu)2] with bis(3-tert-butylimidazol-2-ylidene)borate ligand (BctBu) have been isolated while only tetrahedral configuration was found for the Fe(II) analogue [Fe(BctBu)2]. Novel...
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