Royal Society of Chemistry

The stability of [small eta]2-H2 borane complexes - a theoretical investigation

Dalton Transactions - 25 August, 2014 - 05:54

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

Dalton Transactions - 25 August, 2014 - 05:54

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

Dalton Transactions - 25 August, 2014 - 05:54

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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Selective complexation of [small alpha]-amino acids and simple peptides via their carboxylate groups

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13637-13648
DOI: 10.1039/C4DT02007C, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Roland Schnitter, Daniel Gallego, Berthold Kersting
In contrast to other NiII amino carboxylato or peptide complexes which typically contain five membered NO or NN chelate rings, the macrocyclic complex [Ni2L([small mu ]-Cl)]+ with its cleft-like structure enables a selective carboxylate coordination. The encapsulation of the biomolecules prevents the formation of intermolecular hydrogen bonding interactions, which in turn affects their structures and solubilities.
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Peraurated nickel carbide carbonyl clusters: the cationic [Ni6(C)(CO)8(AuPPh3)8]2+ monocarbide and the [Ni12(C)(C2)(CO)17(AuPPh3)3]- anion containing one carbide and one acetylide unit

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13471-13475
DOI: 10.1039/C4DT01849D, CommunicationMarco Bortoluzzi, Iacopo Ciabatti, Cristina Femoni, Mohammad Hayatifar, Maria Carmela Iapalucci, Giuliano Longoni, Stefano Zacchini
The first molecular carbonyl cluster containing one carbide atom and one C2-unit displaying sub-van der Waals contacts is reported.
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New open-framework cobalt sulfate-oxalates based on molecular and chain-like building blocks

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13476-13479
DOI: 10.1039/C4DT01503G, CommunicationKangcai Wang, Daibing Luo, Dingguo Xu, Furong Guo, Lin Liu, Zhien Lin
Two open-framework cobalt sulfate-oxalates, constructed from molecular and chain-like building blocks, exhibit different extended structures: an hcb-type layer with 20-ring windows and a mog-type framework with 12-ring channels.
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Impact of constitutional isomerism on phosphorescence and anion-sensing properties of donor-acceptor organoboron Pt(II) complexes

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13696-13703
DOI: 10.1039/C4DT01949K, PaperMei-Ni Belzile, Xiang Wang, Zachary M. Hudson, Suning Wang
A pair of donor-acceptor constitutional isomers of N[logical and]C-chelated Pt(II) compounds has been found to display distinct phosphorescence and contrasting response toward fluoride ions.
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Formation and structure of two luminescent salts of [Au(SCSN3)2]- obtained through the [2 + 3] cyclization of carbon disulfide and azide ion

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13756-13763
DOI: 10.1039/C4DT01902D, PaperSang Ho Lim, Jennifer C. Schmitt, Jason Shearer, Kellie R. England, Marilyn M. Olmstead, Alan L. Balch
The salts, [(H2O)3Na][Au(SCSN3)2] and (Ph4As)[Au(SCSN3)2] contain anions that associate through aurophilic interactions and adopt an unusual eclipsed arrangement of the ligands as seen in the illustration.
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A 13C-NMR study of azacryptand complexes

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13557-13562
DOI: 10.1039/C4DT01594K, PaperAljoscha A. C. Wild, Kevin Fennell, Grace G. Morgan, Chandralal M. Hewage, J. Paul G. Malthouse
Two complexes are formed when the azacryptand R3Bm binds a metal and carbonate. These complexes interchange slowly when the metal is cadmium but rapidly when the metal is zinc.
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Carbene based photochemical molecular assemblies for solar driven hydrogen generation

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13683-13695
DOI: 10.1039/C4DT01546K, PaperKatrin Peuntinger, T. David Pilz, Robert Staehle, Markus Schaub, Simon Kaufhold, Lydia Petermann, Markus Wunderlin, Helmar Gorls, Frank W. Heinemann, Jing Li, Thomas Drewello, Johannes G. Vos, Dirk M. Guldi, Sven Rau
Novel binuclear photocatalysts with bridging ligands on NHC basis have been synthesized, characterized and applied as photocatalysts.
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Exfoliation of one-dimensional TiO5 chain in K2TiO3

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13751-13755
DOI: 10.1039/C4DT01891E, PaperYuji Masubuchi, Ryo Miyazaki, Hiroki Kikuchi, Teruki Motohashi, Shinichi Kikkawa
Potassium titanate, K2TiO3, was exfoliated in acid solution, and Tyndall scattering due to the colloid formation was observed.
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Bamboo leaf-assisted formation of carbon/nitrogen co-doped anatase TiO2 modified with silver and graphitic carbon nitride: novel and green synthesis and cooperative photocatalytic activity

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13792-13802
DOI: 10.1039/C4DT02101K, PaperZhifeng Jiang, Dong Liu, Deli Jiang, Wei Wei, Kun Qian, Min Chen, Jimin Xie
We have hybridized a ternary system (Ag/CN-TiO2@g-C3N4) via a facile, low-cost, one-step synthesis strategy for the first time without using chemical reagents as C/N sources or employing a toxic reducing agent.
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In situ synthesis of uniform Fe2O3/BiOCl p/n heterojunctions and improved photodegradation properties for mixture dyes

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13742-13750
DOI: 10.1039/C4DT01999G, PaperNa Li, Xia Hua, Kai Wang, Yujian Jin, Jingjing Xu, Mindong Chen, Fei Teng
Uniform Fe2O3/BiOCl p/n heterojunctions are synthesized by an in situ hydrolysis method, whose degradation rates are four times higher than that of the bare BiOCl.
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2-Quinoxalinol diamine Cu(II) complex: facilitating catalytic oxidation through dual mechanisms

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13578-13583
DOI: 10.1039/C4DT01562B, PaperYuancheng Li, TaeBum Lee, Kushan Weerasiri, Tanyu Wang, Emily E. Buss, Michael L. McKee, Anne E. V. Gorden
The Cu(II) complex 1, Cu(II)-6-N-3,5-di-tert-butylsalicylidene-6,7-quinoxalinol-diamine, has been developed to address problems with current methods of catalytic oxidation using tert-butyl hydroperoxide (TBHP).
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Crystal transformation synthesis of a highly stable fluorescent 3D indium-tetranuclear {In4([small mu ]2-OH)3} building block based metal organic framework through a dinuclear complex

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT02045F, CommunicationXin-Ming Wang, Rui-Qing Fan, Liang-Sheng Qiang, Ping Wang, Yu-Lin Yang, Yu-Lei Wang
A rare 3D tetranuclear {In4([small mu ]2-OH)3} building block based MOF {[In4/3([small mu ]2-OH)(2,6-pydc)(1,4-bda)0.5(H2O)][middle dot]2H2O}n (2) was obtained through a crystal transformation from a dimeric complex In3(2,6-pydc)3(1,4-bda)1.5(H2O)6 (1).
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Cationic iridium(III) complexes bearing ancillary 2,5-dipyridyl(pyrazine) (2,5-dpp) and 2,2[prime or minute]:5[prime or minute],2[prime or minute][prime or minute]-terpyridine (2,5-tpy) ligands: synthesis, optoelectronic characterization and light-emittin

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13672-13682
DOI: 10.1039/C4DT02100B, PaperKamrul Hasan, Loic Donato, Yulong Shen, Jason D. Slinker, Eli Zysman-Colman
Four green to deep red emitting cationic iridium(III) complexes are reported as emitters for LEECs.
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Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of [varepsilon]-caprolactone

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13612-13619
DOI: 10.1039/C4DT01936A, PaperYuanzhuo Li, Ke-Qing Zhao, Chun Feng, Mark R. J. Elsegood, Timothy J. Prior, Xinsen Sun, Carl Redshaw
Ethylene glycolate tungsten complexes bearing calix[n]arene ligands (n = 6, 8) have been structurally characterized and exhibit catalytic activity for the ROP of [varepsilon]-caprolactone in the presence of benzyl alcohol.
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Experimental determination of redox cooperativity and electronic structures in catalytically active Cu-Fe and Zn-Fe heterobimetallic complexes

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13661-13671
DOI: 10.1039/C4DT01841A, PaperMalkanthi K. Karunananda, Francisco X. Vazquez, E. Ercan Alp, Wenli Bi, Soma Chattopadhyay, Tomohiro Shibata, Neal P. Mankad
Mossbauer and XANES analyses were used to examine metal-metal bonding and redox cooperativity in catalytically active Cu-Fe and Zn-Fe complexes.
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Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13704-13710
DOI: 10.1039/C4DT01681E, PaperRajendra S. Ghadwal, Sven O. Reichmann, Elena Carl, Regine Herbst-Irmer
Silyl-functionalized di-N-heterocyclic carbenes are readily available on treatment of a lithiated NHC with a dichlorosilane. A copper complex of a Di-NHC is shown.
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Ruthenium, osmium and rhodium complexes of 1,4-diaryl 1,4-diazabutadiene: radical versus non-radical states

Dalton Transactions - 25 August, 2014 - 05:54

Dalton Trans., 2014, 43,13731-13741
DOI: 10.1039/C4DT01241K, PaperSarat Chandra Patra, Amit Saha Roy, Vadivelu Manivannan, Thomas Weyhermuller, Prasanta Ghosh
Molecular and electronic structures of the ruthenium, osmium and rhodium complexes of 1,4-di(3-nitrophenyl)-1,4-diazabutadiene (LDAB) and their redox series are reported.
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