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Physical Chemistry Chemical Physics, ISSN 1463-9076, 4/2015, Volume 17, Issue 15, pp. 9644 - 965
Planar wheel-type D 6h M©B 6 H 6 −/0/+ (M = Mn, Fe and Co for anion, neutral and cation, respectively.) clusters with a planar hexacoordinate transition-metal... 
AROMATICITY | CARBON | CLUSTERS | CHEMICAL-SHIFTS | POPULATION ANALYSIS | HEXACOORDINATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMIC CHARGES | TETRACOORDINATE | CHEMISTRY, PHYSICAL | PENTACOORDINATE | ELECTRON-DENSITY
Journal Article
2. Full Text Photoelectron spectroscopic and computational studies of [EDTA·M(iii)]− complexes (M = H3, Al, Sc, V-Co)Electronic supplementary information (ESI) available: The M-O bond length differences (Å) by subtracting the equatorial bond from the axial bond in the optimized structures of [EDTA·M(iii)]− (M = Al, Sc, V-Co) using five different functionals (Table S1); comparison of experimental ADE/VDE values with calculated ones for all complexes using different functionals (Table S2); comparison of relative energies for the hexadentate [EDTA·M(iii)]− (M = V-Co) complexes of different spin states (Table S3); comparison of relative energies of different isomers for the [EDTA·M(iii)]− (M = Al, Sc, V-Co) complexes (Table S4); Laplacian of electron density (∇2ρ(rb)), and energy density (HBCP) at bond critical points of O-H O hydrogen bonds and hydrogen bonding distance obtained by using the atoms in molecules (AIM) methodology with the Multiwfn program (Table S5); orbital composition analysis of [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) for HOMOs that contribute to the first peak (X) by the NAO method (Table S6); molecular graph of [EDTA·H3]− using the atoms in molecules (AIM) methodology (Fig. S1); molecular orbital pictures (HOMO to HOMO-10) of the most stable isomers for [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) (Fig. S2); HOMO pictures of the most stable isomers of [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) (Fig. S3); comparison of the trend of metal atom contribution (%) in HOMOs with the experimental VDEs and ADEs for [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) (Fig. S4); TDDFT simulated spectra of the lowest isomers for [EDTA·M(iii)] (M = H3, Sc, Mn, Fe, Co) - using five different functionals, in comparison with the corresponding experimental spectra (Fig. S5); Cartesian coordinates for the optimized structures of [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) and [EDTA·H3]− (total 53 pages). See DOI: 10.1039/c8cp01548a
ISSN 1463-9076, 7/2018, Volume 2, Issue 29, pp. 19458 - 19469
Metal-EDTA complexes commonly exist as biological redox reagents. We have generated a series of such complexes, [EDTA·M( iii )] − (M = Al, Sc, V-Co), via... 
Journal Article
Rapid Communications in Mass Spectrometry, ISSN 0951-4198, 02/2015, Volume 29, Issue 3, pp. 263 - 268
RATIONALE Ionization in electrospray ionization mass spectrometry (ESI‐MS) mainly occurs as a result of acid‐base reactions or coordination with metal cations.... 
Protons | Models, Molecular | Carbazoles - chemistry | Cations - chemistry | Spectrometry, Mass, Electrospray Ionization - methods | Density functionals | Mass spectrometry | Analysis
Journal Article
Journal of the American Ceramic Society, ISSN 0002-7820, 07/2015, Volume 98, Issue 7, pp. 2255 - 2263
High surface area BiFeO3 (BFO) bowl arrays photocatalyst loaded with different size noble metal nanoparticles were successfully prepared by combining templates... 
NANOPARTICLES | MAGNETIC-PROPERTIES | MATERIALS SCIENCE, CERAMICS | TIO2 NANOTUBE ARRAYS | HYDROTHERMAL SYNTHESIS | Thin films | Dielectric films | Raman spectroscopy | Optical properties | Analysis
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 06/2013, Volume 52, Issue 11, pp. 6233 - 6235
A series of heterometallic [3 × 3] grids have been synthesized readily through a one-pot solvothermal reaction. Given metal ions carrying distinct electronic,... 
S=3 GROUND-STATE | SINGLE-MOLECULE MAGNET | SQUARE | MIXED-VALENCE | LIGANDS | INFORMATION | EXPRESSION | ARRAYS | ARCHITECTURES | METALLIC CENTERS | CHEMISTRY, INORGANIC & NUCLEAR | Copper compounds | Zinc compounds | Iron compounds | Chemical properties
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 08/2011, Volume 50, Issue 15, pp. 6972 - 6978
A series of supertetrahedral polymers of chalcogenometalates (T3 cluster compounds) integrated with M-phen complexes (phen =1,10-phenanthroline; M = Ni, Fe)... 
Journal Article
Scripta Materialia, ISSN 1359-6462, 2009, Volume 60, Issue 3, pp. 152 - 155
Journal Article
by Yang, D and Kong, XT and Zheng, HJ and Su, MZ and Zhao, Z and Xie, H and Fan, HJ and Zhang, WQ and Jiang, L
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 05/2019, Volume 123, Issue 17, pp. 3703 - 3708
Gas-phase infrared photodissociation spectra of [V(CO2)(n)](+) complexes revealed three new vibrational bands at 1140, 1800, and 3008 cm(-1) at n = 7, the... 
REDUCTIVE ACTIVATION | CO2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ANIONIC COMPLEXES | CHEMISTRY, PHYSICAL | METAL | VIBRATIONAL-SPECTRA | CARBON-DIOXIDE | GROWTH DYNAMICS | SOLVATION | AFFINITIES | PHOTODISSOCIATION SPECTROSCOPY
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 02/2014, Volume 53, Issue 6, pp. 1693 - 1698
Journal Article
ISSN 1359-6640, 7/2019, Volume 217, pp. 383 - 395
We report here a systematic photoelectron spectroscopy (PES) and theoretical study of divalent transition metal (TM) EDTA complexes [EDTA·TM( ii )] 2− (TM =... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 29, pp. 19458 - 19469
Journal Article
European Journal of Mass Spectrometry, ISSN 1469-0667, 6/2018, Volume 24, Issue 3, pp. 251 - 260
A series of N-(1,3-diphenylallyl)benzenamine derivatives (M) were investigated by electrospray ionization mass spectrometry in the positive-ion mode. Both the... 
electrospray ionization mass spectrometry | 3-diphenylallyl)benzenamine | M−H | two competing ionization processes | [M-H](+) | OXIDATION | N-(1,3-diphenylallyl)benzenamine | REDUCTION | SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DERIVATIVES | MASS-SPECTROMETRY ANALYSIS
Journal Article
Faraday Discussions, ISSN 1359-6640, 01/2019, Volume 217, pp. 383 - 395
Journal Article
physica status solidi (a), ISSN 1862-6300, 07/2013, Volume 210, Issue 7, pp. 1433 - 1437
High‐saturated red phosphors Mn4+‐doped SrAl12O19 were prepared by solid‐state reaction methods. The luminescent properties of SrAl12O19:Mn4+ were... 
luminescence | phosphors | light‐emitting diodes | aluminates | transition metals | light-emitting diodes | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | BLUE | MATERIALS SCIENCE, MULTIDISCIPLINARY | ALUMINUM GARNET | EMISSION | Circuit components | Light-emitting diodes | Optoelectronics industry
Journal Article
Journal of Biomedical Materials Research Part A, ISSN 1549-3296, 11/2012, Volume 100A, Issue 11, pp. 2979 - 2990