Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS (Englisch)
- Neue Suche nach: Eklund, L.
- Neue Suche nach: Hofer, T.
- Neue Suche nach: Persson, I.
- Neue Suche nach: Eklund, L.
- Neue Suche nach: Hofer, T.
- Neue Suche nach: Persson, I.
In:
DALTON TRANSACTIONS
;
44
, 4
;
1816-1828
;
2015
-
ISSN:
- Aufsatz (Zeitschrift) / Print
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Titel:Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS
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Beteiligte:
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Erschienen in:DALTON TRANSACTIONS ; 44, 4 ; 1816-1828
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Verlag:
- Neue Suche nach: Royal Society of Chemistry
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Erscheinungsdatum:01.01.2015
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Format / Umfang:13 pages
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ISSN:
-
Medientyp:Aufsatz (Zeitschrift)
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Format:Print
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Sprache:Englisch
- Neue Suche nach: 546
- Weitere Informationen zu Dewey Decimal Classification
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Klassifikation:
DDC: 546 -
Datenquelle:
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-
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-
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-
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-
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-
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-
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-
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-
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-
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-
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- 17529
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Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactionsElectronic supplementary information (ESI) available. CCDC 1031995 (1), 1031996 (2), 1031997 (3), 1032000 (4), 1031998 (5) and 1031999 (6). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02787jSolà, Miquel et al. | 2015
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Chemical solution deposition of the highly c-axis oriented apatite type lanthanum silicate thin filmsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5dt02569aFujita, Satoru et al. | 2015
- 17557
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Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexesElectronic supplementary information (ESI) available: Experimental and spectral data, and crystallographic refinement data. CCDC 1403563-1403568. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02694fJonathan Chew, Renta et al. | 2015
- 17565
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Three tetracoordinate Co(ii) complexes [Co(biq)X2] (X = Cl, Br, I) with easy-plane magnetic anisotropy as field-induced single-molecule magnetsElectronic supplementary information (ESI) available: For additional spectroscopic, crystallographic and magnetic data as well as figures. CCDC 1051392-1051394. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02827bBo a, R et al. | 2015
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Luminescence properties of a new green afterglow phosphor NaBaScSi2O7:Eu2Wang, Xicheng et al. | 2015
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A Bi-doped Li3V2(PO4)3/C cathode material with an enhanced high-rate capacity and long cycle stability for lithium ion batteriesFeng, Kai et al. | 2015
- 17587
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Copper coordinated ligand thioether-S and NO2− oxidation: relevance to the CuM site of hydroxylasesElectronic supplementary information (ESI) available: FTIR spectrum of 4, 5 and 6 as Fig. S1-S3, 1H NMR spectrum of L1SO (Fig. S4), mass spectrum of L1SO and L1SO2 (Fig. S5 and S6), CV of HL1, 5, 6 and 2 (Fig. S7-S10), electronic absorption spectral changes [(L1)CuII(ONO)]n (3) + 1H2O2 (Fig. S11), and 3-D polymeric view of 6 (Fig. S12), mechanism of ref. 2b (Fig. S13), cyclic voltammogram of 5, 6, 7 and in the presence of 5 or 6 or 7 + 40 equiv. NaNO3 (Fig. S14-S16), X-band EPR spectra of 3 or 5 in MeCN-toluene at 298 K and 77 K (Fig. S17 and S18). CCDC 1402244-1402247 for 4, 5, 6 and 2. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02184gSingh, Ravindra et al. | 2015
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Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexesElectronic supplementary information (ESI) available: Complete ref. 69; the NMR, IR, mass and CHN data of the palladium (1-3)b and (1-3)c complexes; X-ray metrical data comparison table; ORTEP plots of 2b, 2c, and 3b; the B3LYP coordinates of the optimized geometries for the cis- and trans-isomers of (1-3)b and (1-3)c; NBO tables and CDA table along with orbital interaction diagrams of (1-3)b and (1-3)c. The catalysis data of the control, blank, and Hg(0) drop test results. This material is available free of charge via the journal webpage. CCDC 922717, 935843, 926965, 926236, 934458 and 934462. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02317cButcher, Ray J et al. | 2015
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Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studiesDedicated to Professor Pradeep Mathur on the occasion of his 60th birthday.Electronic supplementary information (ESI) available: The crystallographic data and structure refinement details of 2-5, experimental details of cytotoxicity studies and graphical representation of cytotoxicity of compounds 1-5 against different cell lines. CCDC 1054799-1054802. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02205cManimaran, Bala et al. | 2015
- 17639
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Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligandsElectronic supplementary information (ESI) available: PXRD patterns, TG plots and selected bond lengths and angles for 1-7. CCDC 1012966-1012972. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt03026aWang, Hua-Rui et al. | 2015
- 17652
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Structural study by solid-state 71Ga NMR of thin film transistor precursorsElectronic supplementary information (ESI) available: Notes on CASTEP calculations, magnetic field comparison between 21.1 T and 13.9 T of the mixed metal hydroxo-aquo clusters, 71Ga 3QMAS NMR of the Ga7In6 cluster, table of ideal bond lengths for the clusters, and a table of the Dmfit simulation parameters. See DOI: 10.1039/C5DT02967HKamunde-Devonish, Maisha K et al. | 2015
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Structural and photoluminescence properties of Eu3+ doped α-Ag2WO4 synthesized by the green coprecipitation methodologyElectronic supplementary information (ESI) available: Rietveld diffraction pattern and tables; CIE images and tables; EDS spectra. See DOI: 10.1039/c5dt01997dPereira, Wyllamanney S et al. | 2015
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Coordination polymers of ZnII and 5-methoxy isophthalateElectronic supplementary information (ESI) available: Experimental and calculated PXRD patterns, TGA traces, details of NO release experiments, additional crystallographic information on compound 2 and selected bond lengths and angles on compounds 1-4. CCDC 1039561-1039564. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02924dMorris, Russell E et al. | 2015
- 17712
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A-site-deficiency effect on critical behavior in the Pr0.6Sr0.4MnO3 compoundHlil, E. K et al. | 2015
- 17736
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Vanadium(v) complexes of a tripodal ligand, their characterisation and biological implicationsElectronic supplementary information (ESI) available: Details of 51V NMR and other spectral studies. CCDC 1413240-1413244. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02716kUprety, Bhawna et al. | 2015
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Ring lithiation of 1,8-bis(dimethylamino)naphthalene: another side of the 'proton sponge coin'Electronic supplementary information (ESI) available: CIF file and a table giving crystallographic data for complex (5a·Et2O)2; some computational details; a text file of all computed molecule Cartesian coordinates in .xyz format for convenient visualization; 1H and 13C NMR spectra for compounds 6b, 8 and 9. CCDC 1023357. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02482jTolstoy, Peter M et al. | 2015
- 17767
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NIR-emissive iridium(iii) corrole complexes as efficient singlet oxygen sensitizersElectronic supplementary information (ESI) available: 1H NMR, ESI-MS spectra, Normalized phosphorescence spectra of 1, 2, and 3, ORTEP and X-ray packing diagrams of 1 and 2. CCDC 1412059 and 1412060 for 1 and 2. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt03041bRavotto, Luca et al. | 2015
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Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acidElectronic supplementary information (ESI) available. CCDC 1412803-1412808. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02692jShan, Weilong et al. | 2015
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Photoelectrochemical properties and the detection mechanism of Bi2WO6 nanosheet modified TiO2 nanotube arraysPang, Yajun et al. | 2015
- 17795
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An explicit account of solvation is essential for modeling Suzuki-Miyaura coupling in protic solventsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5dt03126eSvitanko, Igor V et al. | 2015
- 17819
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Theoretical modeling of valence tautomeric dinuclear cobalt complexes. Adducts of CoII diketonates with cyclic redox-active tetraone ligandsElectronic supplementary information (ESI) available: The theoretical calculations, including optimized geometries, spin distribution and energy parameters of ligands L5-L8 (Fig. S1 and Table S1), MOs of the diradicals L5&z.rad;&z.rad;2−, L6&z.rad;&z.rad;2− and L8&z.rad;&z.rad;2− (Fig. S2); energy parameters and optimized geometries of complexes 5-7 (Table S2, Fig. S3-S6), total energies of CoII diketonates (Table S3), total energies (Table S4) and optimized geometries of complexes 8. See DOI: 10.1039/c5dt02609aStarikova, A. A et al. | 2015
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Controlled reaction for improved CH3NH3PbI3 transition in perovskite solar cellsFang, X. Q et al. | 2015
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The synergy between Ti species and g-C3N4 by doping and hybridization for the enhancement of photocatalytic H2 evolutionHao, Ying-juan et al. | 2015
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Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studiesElectronic supplementary information (ESI) available: Additional magnetism plots, additional figures, X-ray powder diffraction data, thermogravimetric analysis plots, CO2 isotherms for 2 and 3, N2 isotherm data for 4, CO2 isotherm fitting data for 4, table of hydrogen bonding parameters, 1H and 13C NMR spectra for Me4L and H4L. CCDC 1406627-1406631. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02323hChaffee, Alan L et al. | 2015
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Grafting transition metal-organophosphonate fragments onto heteropolyoxomolybdate: activity in photocatalysisElectronic supplementary information (ESI) available: IR spectra, XRPD pattern and TGA of 1 (Fig. S1, S2 and S4); the synthetic pathway of 1 (Fig. S3); BVS of Mo, Ni, P and O atoms in 1a (Fig. S5, Tables S1-S4); crystallographic data of 1 (Table S5); selected bond angles (°) of 1 (Table S6); some structural figures (Fig. S6-S9) and the additional photocatalysis related table and figure (Fig. S10 and Table S7). CCDC 1057128. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt02471dNiu, Jingyang et al. | 2015
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Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone: structure of a rare dinuclear gold(i) complex [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl]Electronic supplementary information (ESI) available: NMR and crystallographic data. CCDC 1407891, 1407892 and 1407893. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt03161cMague, Joel T et al. | 2015
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A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditionsElectronic supplementary information (ESI) available: TGA curves and XRD spectra for complexes 1-3. CCDC 1400113-1400115. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt03135dWang, Yong-Tao et al. | 2015