Subject Index

Subject Index

Downloaded by UNIV OF NEWCASTLE on March 7, 2017 | http://pubs.acs.org Publication Date (Web): December 19, 2016 | doi: 10.1021/bk-2016-1238.ix002

C Chlorination, disinfection byproduct formation, 421 conclusions, 434 introduction, 422 materials and methods analytical methods, 424 bench-scale batch experiments, oxidation conditions, 425t continuous flow experiments, pre-oxidation conditions, 425t experimental methods, 424 natural water samples, 423 raw water characteristics, 423t results and discussion CP formation potentials, effect of ferrate and ozone pre-oxidation, 431f DHAN formation, effect of ferrate and ozone pre-oxidation, 430f different source waters, effect of ferrate pre-oxidation, 429f ferrate and ozone pre-oxidation, effect, 426 ferrate and ozone pre-oxidation on DHAA formation, effect, 428f ferrate and ozone pre-oxidation on HK formation potentials, effect, 431f ferrate and ozone pre-oxidation on THAA formation potentials, effect, 428f ferrate pre-oxidation on THM formation potentials, effect, 427f regulated DBPs, comparison of ferrate and permanganate pre-oxidation, 432 regulated disinfection byproducts, effect of pre-oxidation with ferrate, 434f THM formation potentials, ferrate and ozone pre-oxidation, 426f UV254 absorbance and turbidity impacts, 433f

E Effluent organic matter (EfOM), ferrate(VI) reaction, 411 conclusion, 419

introduction, 412 materials and methods analytical methods, 413 chemicals and reagents, 412 Fe(VI) and Fe(III) treatment tests, 413 results and discussion, 413 different chemical doses, turbidity and EfOM, 416f EfOM, molecular weight (MW) fractions, 415 Fe(VI) and Fe(III) in removal of COD, different behaviors, 414 Fe(VI) and Fe(III)-treated secondary effluent, MW fractions, 417f secondary effluents, UV absorbance, 418f Electrochemical ferrates(VI) preparation, 221 experimental, 223 introduction, 222 results and discussion A(III) peak current densities, dependences, 226f anodic peak current densities (A3), dependences, 231f binary NaOH:H2O system, characterization, 229 degradation power of the Fenton reaction, comparison, 235t equivalent circuit elements obtained, values, 232f hospital wastewater, bacterial composition, 237t impedance spectra, Nyquist plots, 227f impedance spectra for different anode composition, Nyquist plots, 228f inert anodes, 224 iron/iron based anodes, 225 molten KOH, 230 molten NaOH, 225 selected illicit drugs, concentration and removal efficiency, 236t static polarization curves, 233 system consisting of binary KOH:H2O system, equivalent circuit representing the electrochemical impedance, 231f wastewater treatment and disinfection, 234 working electrodes, cyclic voltammograms, 226f

497 Sharma et al.; Ferrites and Ferrates: Chemistry and Applications in Sustainable Energy and Environmental Remediation ACS Symposium Series; American Chemical Society: Washington, DC, 2016.


Environmental remediation, ferrites applications alkenes and reduction of aryl nitro compounds, hydrogenation, 130f catalyst in chemical reactions, ferrrites, 129t as drug carrier, 125 as enzyme mimic, 124 ferrites as catalysts, 128 ferrites in different areas, applications, 121f heavy metal and dyes, remediation, 125 iron oxide nanoparticles, dual enzyme-like activities, 124f nitrobenzene using SrFeO3-δ, photocatalytic degradation, 123f organic contaminants, catalytic degradation, 120 organic pollutants using NiFe2–xNdxO4, photocatalytic degradation, 122f Pb(II) contaminated aqueous solution, detoxification, 127f rhodamine B, photocatalytic degradation, 121f surface-modified jacobsite (MnFe2O4) nanoparticles, 126f TEM images, 127f conclusion, 131 ferrite NPs, synthesis co-precipitation method, 117 microemulsion method, 119 processing steps, flow chart, 117f pure ferrites by redox reaction, synthesis, 119s sol-gel method, 116 synthesis of ferrite NPs by combustion method, flow chart, 119s synthesis of ferrite NPs by co-precipitation method, flow chart, 118s synthesis of ferrite NPs by sol-gel method, flow chart, 117s various chemical methods, advantages and disadvantages, 120t ferrites, classification, 114 unit cell of spinel ferrite, structure, 115f introduction, 113

F Ferrate(VI) a greener solution, 161

conclusion, 211 introduction apparent first-order rate constants, dependence, 183f decomposition product KFeO2, room temperature Mossbauer spectrum, 178f different oxidants, redox potential, 184t different samples, room temperature Mossbauer spectrum, 179f 3d shell configuration of iron, schematic representation, 170f electrochemical method, 165 ferrate synthesis, electrochemical cell used, 167f ferrate(VI), characteristics, 171t ferrate(VI), characterization and quantification, 168 ferrate(VI), stability, 175 ferrate(VI), synthesis, 165 ferrate(VI) (FeVIO42-), 164 ferrate(VI) in aqueous solutions, speciation, 181f Fe(VI) concentration as a function, change, 176f Fe(VI) ion, three resonance hybrid structures, 172f iron, iron oxide compounds at different oxidation states, 164t K2FeO40.088 H2O, thermal decomposition, 177 Mössbauer spectra recorded between 5th and 7th hour, 180f potentiometric titrations, reproducibility, 172f qualitative estimation, 169 reduction of Fe(VI), second order rate constant, 182f UV-visible spectroscopy, 174 volumetric titration method, 173 water resources, 162 metal complex species by ferrate(VI), treatment, 185 Cd(II) or Ni(II), simultaneous removal, 205f Cu(II) from the aqueous solutions, simultaneous removal, 210f cyanide by Fe(VI) in coke oven plant, removal, 190f cyanide oxidation, ferrate(VI) treatment, 192f degradation of Zn(CN)42- by ferrate(VI), kinetics, 186 different concentrations, mineralization of IDA, 202f



different concentrations of Cu(II)-NTA, degradation of NTA, 208f different pH conditions, overall rate constant, 208t ferrate(VI), reduction, 207f ferrate(VI) decay, kinetic traces, 187f Fe(VI) as a function, degradation, 199f Fe(VI) as a function of time for various concentrations, degradation, 200f IDA, mineralization, 203f M(II)-ethylenediamine tetraacetic acid (EDTA) complexes, treatment, 209 M(II)-IDA, overall rate constant, 201t M(II)-IDA, overall rate constant in the decomplexation/degradation, 201t M(II)-IDA complexes by ferrate(VI), treatment, 197 M(II)-nitrilotriacetic acid (NTA) complexes, treatment, 204 mixed precipitate, EDX spectrum, 194f NTA in the complexed system, percent degradation, 206f oxidation, rates, 188 pseudo-first-order rate constant (k1, s-1), plot, 191f pseudo-first-order rate constant values, fitting, 200f rate of oxidation, hydrogen ion dependence, 189f reaction of Fe(VI), rate constants, 196t simultaneous Ni removal, ferrate(VI) treatment, 192f simultaneous removal of Cu and Ni, ferrate(VI) treatment, 193f time dependent ferrate(VI) decay, 198 treatment of M(II)aminopolycarboxylic acids, ferrate(VI), 195 treatment of sulfide mine tailings, ferrate(VI), 193 Zn(CN)42- by ferrate(VI) as a function, oxidation, 187t Ferrites as photocatalysts conclusions and outlook, 104 ferrites for photocatalytic water splitting, 81 aqueous suspensions, ferrite photocatalysts, 86 ferrites as photocathodes, 81 ferrites used as aqueous suspensions, photocatalytic hydrogen production, 88t

metal-doped CaFe2O4 photocathodes, 82 PECs with ferrites used as photoanodes, performance, 85t PECs with ferrites used as photocathodes, performance, 84t photoanodes, ferrites, 83 photo electrochemical cells (PECs), performances, 82 VB and CB of representative ferrites, bandgap and positions, 81f introduction, 79 AB2O4, crystal structure, 80f photocatalytic degradation of contaminants, ferrites, 91 dyes by ferrites, photodegradation, 93 heterogeneous photocatalytic fenton and fenton-like processes, 95 MB dye by ferrite-based photocatalysts, degradation, 98t MO dye by ferrite-based photocatalysts, degradation, 96t RhB dye by ferrite-based photocatalysts, degradation, 100t selected dyes, chemical information, 92t various chemicals by H2O2 and ferrite-based photocatalysts, degradation, 102t

G Greywater treatment and dye removal, review, 349 conclusions, 393 dye removal, treatment methods, 375 adsorption process, 376 dye wastewater, typical character, 377t Fe (VI) treatment of dye wastewater, literature review, 378t dyes, chemical constituents, 371 acetamidine molecule, structure change, 372f naphthalene molecule, color changes, 372f typical chromophoric groups, 371f dyes, classification, 372 classification of dyes, 373t dye wastewater, 375



Fe (VI), greywater treatment, 354 anionic surfactant (MBAS), degradation, 359 BOD removal efficiencies, 364f COD, TOC and turbidity removal efficiencies, 358f contact time for inactivation of TC by Fe (VI), effect, 368f domestic greywater, 362 Fe (VI), turbidity, COD and TOC removal efficiencies, 363f Fe (VI) dose, effect, 361f Fe (VI) dose for inactivation of TC, effect, 368f function of Fe (VI) dose, TC concentrations, 370f greywater, reactivity of Fe (VI), 371 literature review, 356t particle size distributions and zeta potentials, 361 pathogens, removal, 367 pH for inactivation of TC, effect, 369f restaurant greywater, 355 surfactant, degradation, 360f surfactant removal efficiencies, 365f TKN and TP removal efficiencies, 366f Fe (VI) in dye removal, use, 379 orange II dye, 381 raw and treated methylene blue, FTIR spectrum, 380f greywater sources, characteristics and reuse potential, 351 greywater sources, general characteristic, 352t greywater sources and their constituents, 352t greywater treatment technologies advanced oxidation processes, 354 biological treatment processes, 353 physicochemical treatment technologies, 353 introduction, 350 removal efficiency, effect of parameters dye solution, initial pH, 383 Fe (VI) dose, 382 initial dye concentration, 384 initial methylene blue concentration, effect, 385f selected dyes’ interaction, molecular modeling, 385 free and coordinated to the Fe (VI), molecular structures and charge values, 389f frontier orbitals, electronic density distribution, 388f

(HOMO/LUMO) for red X-3B, electron density distribution, 391f (HOMO/LUMO) for red X-3B + Fe (VI) ion, electron density distribution, 392f molecular structures and charge values, 386f orange II and orange II+Fe (VI), DOS spectrum, 387f states (DOS) spectrum, density, 390f

M Magnetite (ferrites)-supported nano-catalysts, 39 conclusion, 68 introduction, 40 magnetite-supported catalysts, applications alkenes, OsO2-Fe3O4 catalyzed dihydroxylation, 53s α-Aminonitriles, synthesis, 61s benzoin to benzil, magnetite catalyzed oxidation, 51s BF3/MNPs-450 °C catalyzed 1,4-dihydropyrano[2,3-c]pyrazole derivatives, 58s Calix-Pro-MN catalyzed asymmetric direct aldol reaction, 64s carbamate synthesis via C-H activation, plausible mechanism, 50f 1-carbamatoalkyl-2-naphthols using IL@MNP, synthesis, 65s catalyst, preparation, 43f coupling reactions, 40 Cu-2QC@Am-SiO2, synthesis, 49f Cu-2QC@Am-SiO2@Fe3O4 catalyzed carbamate synthesis, 49s cycloctene, Ti-Fe3O4@MCM-41 (Ti-MS) catalyzed epoxidation, 52s cyclohexene, Fe3O4@chitosan-Schiff base complex catalyzed oxidation, 52s 2,3-dihydroquinazolin-4(1H)-ones, 60s Fe3O4@DOPA-Pd catalyzed Heck coupling reaction, 45s Fe3O4@h-C/Pt, TEM and HAADF-STEM images, 55f Fe3O4@MIL-101(Cr) catalyzed oxidation reaction, 51s Fe3O4@SiO2@SePh@Ru(OH)x NPs, synthesis, 65f



Fe3O4@SiO2Pd catalyze O-allylation reaction, 48s Fe3O4@ZrO2/SO42- catalyzed Strecker reaction and imine synthesis, 63s Fe3O4-CoOx catalyzed 2,5-furandicarboxylic acid, 50s Fe(OH)3@Fe3O4 catalyzed tandem oxidative amidation of alcohols, mechanism, 54f fulleropyrrolidines, diastereoselective synthesis, 59s HMMS and HMMS–salpr–Pd, TEM images, 43f HMMS-SH-PdII catalyzed cross coupling reaction, 47s hydrogenation of nitrobenzene, Fe3O4@h-C/Pt catalyst, 55s magnetic NHC-Pd complex, preparation, 42f magnetic NHC-Pd complex catalyzed Suzuki–Miyaura reaction, 42s magnetite-Pd nanoparticle catalyzed Buchwald-Hartwig coupling reaction, 47s magnetite-supported catalysts, applications, 41f mercaptans to disulphide, CoPc(SO3H)4@LDH@MNP catalyzed oxidation, 51s MNP@BiimCu(I) catalyzed multicomponent reactions, 68s MNP@ImAc/Cu catalyst, preparation, 66f MNP@ImAc/Cu catalyzed triazoles synthesis, 67s Nanocat-Fe-OSO3H, synthesis, 61f nano-Fe3O4@SiO2@SePh@Ru catalyzed amide formation, 66s nitroarenes, HMMS-salpr-Pd catalyzed hydrogenation, 44s one-pot multistep reaction sequences, 64s Pd/Fe3O4@γ-Al2O3 catalyzed Heck coupling reaction, 44s Pd/Fe3O4@GON catalyzed Sonogashira cross coupling reaction, 46s Pd-Fe3O4@SiO2, synthesis, 56f Pd-Pt-Fe3O4, HRTEM image, 57f Pd-Pt-Fe3O4 nanoflakes catalyzed nitroarene reduction, 57s preparation of silica bound magnetite, schematic presentation, 52f solvent-free conditions, 62s spiro[indolo-3,100-indeno[1,2b]quinolin]-2,4,110-triones, 63s

2-substituted-benzothiazole derivatives, 67s 5-substituted-1H-tetrazoles under solvent-free conditions, Fe3O4@chitin catalyzed synthesis, 59s tandem oxidative amidation of alcohols, Fe3O4@Fe(OH)3 core-shell catalyzed, 53s TEM image and elemental mappings, 46f 14 M NaOH-KOH mixtures, stability of ferrate(VI), 241 conclusions, 246 experimental section chemicals, 242 procedure, 243 introduction, 242 results and discussion, 243 dissolved Fe(VI), concentrations, 244 dissolved Fe(VI), decay, 245f Fe(VI) in KOH-NaOH mixtures, decay rate, 246f

O Organic contaminants, elimination, 255 kinetic models and parameters elimination levels of phenol, predicted %, 264f ferrate(VI), predicted self-decay, 262f ferrate(VI) exposure, impact, 259 kinetic equations, 256 logarithmic second-order rate constants, correlations, 260f pH-dependent second-order rate constants, 258f reactions of ferrate(VI), second-order rate constants, 261t second-order rate constants, 257 three TrOCs, elimination levels, 263 TrOC, elimination efficacy, 262 summary and outlook, 269 transformation products activated aromatic compounds, 266 aliphatic amines, 267 aromatic amines, 265 olefins, 266 organo sulfur compounds, 267 phenols, 264 selected organic compounds with ferrate(VI), identified transformation products, 268t Oxygen atom transfer reaction, DFT study



computational methods, 441 conclusions, 469 introduction, 439 results and discussion aqueous solution, B3LYP and BB1K energies, 449t B3LYP/6-311++G, optimized geometries and coordinates, 455f charge and spin density, further analyses, 457 DFT computation, BB1K method, 466f ET reaction between ferrate (VI), energies, 447t ferrate (V), PCM method, 464f ferrate (V) and arsenite ions, energies of OAT reaction, 448t Fe(VI)O4-2 ion, OAT reaction pathways, 450 Fe(V)O4-3 ion, OAT reaction pathways, 462 high-spin (S=1) OAT reaction, AIM charge analysis, 460f high-spin (S=1) OAT reaction, AIM spin-density analysis, 461f ionic ferrate (V) (Fe(V)O4-3), energy profiles for oxygen atom transfer (OAT) reactions, 463f ionic ferrate (VI) (Fe(VI)O4-2) and arsenite (As(III)O3-3), energy profiles, 454f ionic molecules, energies, 442 low-spin (S=1) OAT reaction, AIM charge analysis, 458f low-spin (S=1) OAT reaction, AIM spin density analysis, 459f OAT reaction, AIM spin density analysis, 467f OAT reaction between ferrate (VI), energies, 446t optimized geometries and coordinates, 452f overall reactions between ionic ferrate (VI), energy profile, 468f oxyanions [in a.u.], BB1K/Wachters-Hay&6-311++G energies, 445t oxyanions [in a.u.], B3LYP/6-311++G energies, 444t oxygen atom transfer (OAT) reactions, energy profiles, 451f TS1, RC, optimized geometries and coordinates, 453f TS2, optimized geometries and coordinates, 456f

TS1 and TS2, imaginary frequencies and their intensities, 465f

R Reactivity of ferrate(VI), pH dependence calculation, method, 474 conclusions, 483 introduction, 473 results and discussion alcohol oxidation by ferrate, mechanisms, 477f diprotonated ferrate, 481 diprotonated ferrate in water, energy profile, 481f estimated reaction rate fraction, 483f ferrate and protonated ferrates, isosurface spin-density plot, 476f ferrate and protonated ferrates, LUMO energy level, 477f ferrate and protonated ferrates, optimized geometries, 475f ferrate and protonated ferrates, structures, 475 ferrate in water, kinetics of methanol oxidation, 482 methanol-formaldehyde conversion, energy profile, 479f monoprotonated ferrate, 479 monoprotonated ferrate in water, energy profile, 480f non-protonated ferrate, 478 reactant complex and transition states, optimized geometries, 478f

S Silica-coated magnetic nano-particles conclusion, 30 introduction, 1 investigation of SMNPs, various characterization techniques, 3f silica coating on MNPs, advantages, 3f SMNPs, synthesis, 4 SMNPs in catalysis, applications, 4 aldehydes with indoles, Friedel-Craft reaction, 16s alkyl aromatics, catalytic oxidation, 23s amines using magnetic copper nano-catalyst, aerobic N-alkylation, 18s



2-amino-4H-chromene-3carbonitriles, one-pot synthesis, 29s aryl halides, Ullmann-type amination, 18s carbamates via C-H activation of formamides, synthesis, 30s carbonylative cross-coupling, 14s C-C bond formation reaction, 11 coumarin derivatives, synthesis, 15s in coupling reactions, 9 C-S bond in water, formation, 21s 1,1-diacetates from aldehydes, synthesis, 30s indoles, C-2 arylation, 14s ketones, one-pot reductive amination, 17s levulinic acid, oxidation, 22s magnetic Pd catalyzed, 20s mercaptans, oxidation, 25s MNP-immobilized clicked metal complexes, use, 24s mono[bis(4-hydroxycoumarinyl)methanes] catalyzed by ADSA-MNPs, synthesis, 9s Ni-TC@ASMNP catalyst for Suzuki cross-coupling reaction, use, 13f nitroarenes, reduction, 26s organic halides and alcohols, oxidation, 25s palladium, use, 21s polyhydroquinolines, synthesis, 28s quinoxaline derivatives, synthesis, 19s SMNPs in catalysis, route for using, 9f spirooxindoles in water, one-pot synthesis, 28s 1-substituted 1H-tetrazoles, synthesis, 27s Suzuki coupling reactions, use of SMNP catalysts, 10s Suzuki cross-coupling reaction, numerous catalysts utilized, 12t synthesis of silica-coated magnetic nano-catalysts, methods used, 5t ultrasound irradiation, Knoevenagel condensation, 15s Stability of ferrate (VI) species, review, 287 conclusions, 327 Fe (VI) in aqueous medium, stability alkalinity, effect, 295 alkalinity of the solution on the stability, effect, 296f electrolyte type, effect, 294 electrolyte type on Fe (VI) stability, effect, 295f eq. (4), energy profile, 292f

FeO42- + 2H2O, HOMO-LUMO energy level and energy profile, 291f Fe (VI), self-decay, 289 heterogeneity of aqueous system, effect, 297 initial Fe (VI) concentration, effect, 294 pH, effect, 293f solution temperature on Fe (VI) stability, effect, 297f temperature, effect, 296 type of buffer solution, effect, 298f introduction, 288 PPCPs by Fe (VI), oxidation analgesics and anti-inflammatory drugs, 305 antibiotics, 303 anti-psychotics, 310 β-blockers, 307 border orbitals, energy levels and the presence, 306f cytostatic drugs, 310 Fe (VI) dose on ATV degradation, effect, 308f lipid regulators, 308 MTX degradation, LC-MS/MS results, 312t personal care products (PCPs), 313 raw and treated MTX solutions, 311f steroids and hormones, 312 X-ray contrasts, 309 transformation by-products, 314 carbamezapine (CBZ), 320 CBZ by Fe (VI), degradation pathway, 321f CIP, proposed degradation pathway and TPs, 315f degradation of DCF, pathways and TPs, 319f degradation of SMX, pathways and TPs, 318f diclofenac (DCF), 318 ether bond and phenoxyl radical reaction, cleavage, 326f methotrexate (MTX), 321 MTX and MTX-326 atoms numeration, 322f MTX in the basic state, HOMO/LUMO orbitals, 322f MTX with an additional electron, HOMO/LUMO orbitals, 323f PENG, proposed degradation pathway and TPs, 316f penicillin-G (PENG), 316



PPL by Fe (VI), degradation pathway, 320f propranolol (PPL), 319 states spectra for MTX, density, 324f states spectra for MTX-326, density, 325f sulfamethoxazole (SMX), 317 TMP, proposed degradation pathway and TPs, 317f triclosan (TCS), 324 trimethoprim (TMP), 316 water and wastewater, pharmaceuticals and personal care products (PPCPs), 299 PPCPs mostly identified in environmental samples, groups, 300t

T Typical EDCs, degradation kinetics conclusion, 345 introduction, 337 selected ECDs, elementary physicochemical property, 338t material and methods analytical equipment and methods, 340 chemicals and reagents, 339 ferrate(VI) prepared, 339f potassium ferrate preparation, 339 results and discussion, 340 above reactions, 342 experimental data and kinetic model and comparison, 342f rate constants for the reaction of Fe(VI), summary, 344t water oxidated, UV scanning, 345f

W Wastewater treatment plant (WWTP), removal of selected pharmaceuticals conclusions, 283 introduction, 275 materials and methods chemicals and reagents, 276

instrumental analysis, 277 jar test, 277 WWTP, effluent samples, 276 results and discussion detected pharmaceuticals in the secondary effluents, removal, 279f secondary effluents, removal of spiked pharmaceuticals, 281f selected pharmaceuticals, removal, 280 solution pH and coexisting compounds, influence, 280 target compounds, occurrence and removal, 278 target compounds in the effluent samples, occurrence, 278t treatment performance, comparison, 282f Water by ferrites, purification conclusions, 142 introduction, 137 cubic spinel ferrites, structure, 138f ferrites, synthesis, 138 magnetic moments of cubic spinel ferrites, simple schematic arrangements, 139f metals, removal, 139 heavy metals, retrieval, 140 organics, remediation, 141 generation of •OH radical, hypothetical scheme, 141f Water disinfection, use of ferrate and ferrites challenges and perspectives, 155 conclusions, 153 antibacterial ferrite composite evaluation, photocatalytic experimental condition, 154t ferrate for water disinfection, use, 146 different ferrate-related species on solution pH, dependence, 147f MS2 inactivation, effect, 148f ferrites for water disinfection, use, 149 cell damage in E. coli, different stages, 152f ferrite-based materials, proposed mechanism, 151f TOC, simultaneous removal, 150f introduction, 145


Subject Index

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