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spin oxoiron complex (71) 71
chemistry, multidisciplinary (69) 69
index medicus (67) 67
chemistry, inorganic & nuclear (55) 55
iron (48) 48
ligands (44) 44
oxidation-reduction (35) 35
oxidation (34) 34
spectroscopic characterization (33) 33
chemical properties (28) 28
models, molecular (27) 27
reactivity (27) 27
crystal-structure (26) 26
electron spin resonance spectroscopy (25) 25
catalysis (24) 24
electronic-structure (24) 24
enzymes (24) 24
dioxygen activation (23) 23
iron - chemistry (23) 23
oxygen - chemistry (23) 23
c-h activation (22) 22
analysis (21) 21
article (21) 21
density-functional theory (20) 20
high-valent iron (20) 20
ligand (20) 20
hydrogen-atom abstraction (19) 19
iron-oxo complexes (19) 19
molecular structure (19) 19
2-state reactivity (18) 18
activation (18) 18
iron compounds (17) 17
oxo (17) 17
oxoiron complex (17) 17
chemistry, physical (16) 16
spin fe intermediate (16) 16
taurine/alpha-ketoglutarate dioxygenase (16) 16
biochemistry & molecular biology (15) 15
c-h (15) 15
exchange-enhanced reactivity (15) 15
fe-iv=o (15) 15
hydroxylation (15) 15
iron compounds - chemistry (15) 15
research (15) 15
eisen (14) 14
mechanism (14) 14
2-his-1-carboxylate facial triad (13) 13
chemistry (13) 13
coordination complexes - chemistry (13) 13
crystallography, x-ray (13) 13
molecular conformation (13) 13
quantum theory (13) 13
alkane hydroxylation (12) 12
spectroscopy (12) 12
alpha-ketoglutarate dioxygenase (11) 11
c-h bonds (11) 11
coupled electron-transfer (11) 11
hydrogen - chemistry (11) 11
spin fe complex (11) 11
chemical reactions (10) 10
escherichia-coli (10) 10
ferric compounds - chemistry (10) 10
hydrogen-atom transfer (10) 10
oxidation-reduction reaction (10) 10
physics, atomic, molecular & chemical (10) 10
bonding (9) 9
chemical bonds (9) 9
chemisches reaktionsvermögen (9) 9
density functional theory (9) 9
fe-2 diamond core (9) 9
fe-iv=o complexes (9) 9
ferrous compounds - chemistry (9) 9
heme (9) 9
nonheme (9) 9
organometallic compounds - chemistry (9) 9
oxoiron complexes (9) 9
spectroscopic evidence (9) 9
spectroscopy, mossbauer (9) 9
usage (9) 9
coordination compounds (8) 8
electrons (8) 8
gaussian-basis sets (8) 8
hydrogen-peroxide (8) 8
kinetics (8) 8
nonheme iron (8) 8
o-o bond (8) 8
oxidants (8) 8
oxidation-reaction (8) 8
active-sites (7) 7
bioinorganic chemistry (7) 7
chemical sciences (7) 7
density functional calculations (7) 7
electron-paramagnetic-resonance (7) 7
electronic structure (7) 7
h bond activation (7) 7
heme - chemistry (7) 7
high-spin (7) 7
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1. Full Text Toward the Synthesis of More Reactive S = 2 Non-Heme Oxoiron(IV) Complexes
by Puri, Mayank and Que, Lawrence
Accounts of Chemical Research, ISSN 0001-4842, 08/2015, Volume 48, Issue 8, pp. 2443 - 2452
2003 marked a banner year in the bioinorganic chemistry of mononuclear non-heme iron enzymes. The first non-heme oxoiron­(IV) intermediate (called J ) was... 
FE-2(MU-O) DIAMOND CORE | FE-IV=O | H BOND-CLEAVAGE | ALPHA-KETOGLUTARATE DIOXYGENASE | HYDROGEN-ATOM TRANSFER | COLI RIBONUCLEOTIDE REDUCTASE | IRON-OXO COMPLEXES | SPIN FE(IV) INTERMEDIATE | METAL-ORGANIC FRAMEWORK | CHEMISTRY, MULTIDISCIPLINARY | MONOOXYGENASE INTERMEDIATE-Q | Iron - chemistry | Molecular Conformation | Oxygen - chemistry | Coordination Complexes - chemical synthesis | Crystallography, X-Ray | Ligands | Mixed Function Oxygenases - metabolism | Mixed Function Oxygenases - chemistry | Catalysis | Coordination Complexes - chemistry | Hydrogen - chemistry | Usage | Iron compounds | Spectrum analysis | Crystals | Research | Chemical properties | Electron configuration | Chemical synthesis | Structure | Energy gap | Orbitals | Electronic structure | Electronics | Grounds | Strategy | Ground state
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2. Full Text Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC
by England, J and Prakash, J and Cranswick, MA and Mandal, D and Guo, YS and Munck, E and Shaik, S and Que, L
INORGANIC CHEMISTRY, ISSN 0020-1669, 08/2015, Volume 54, Issue 16, pp. 7828 - 7839
We report herein the first example of an oxoiron(IV) complex of an ethylene-bridged dialkylcyclam ligand, [Fe-IV(O)(Me2EBC)(NCMe)(2+) (2; Me2EBC =... 
NONHEME | ESCHERICHIA-COLI | 2-STATE REACTIVITY | FE(IV) COMPLEX | FE-IV=O COMPLEXES | KETOGLUTARATE DIOXYGENASE | IRON(IV) OXO COMPLEXES | SPIN-STATE VARIATION | ELECTRONIC-STRUCTURE | CATALYTIC CYCLE | CHEMISTRY, INORGANIC & NUCLEAR | Heterocyclic Compounds - chemistry | Organometallic Compounds - chemical synthesis | Iron - chemistry | Molecular Conformation | Oxygen - chemistry | Models, Molecular | Ligands | Organometallic Compounds - chemistry | Ethylenes - chemistry
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3. Full Text Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene–Oxoiron(IV) Complex
by Ye, Shengfa and Kupper, Claudia and Meyer, Steffen and Andris, Erik and Navrátil, Rafael and Krahe, Oliver and Mondal, Bhaskar and Atanasov, Mihail and Bill, Eckhard and Roithová, Jana and Meyer, Franc and Neese, Frank
Journal of the American Chemical Society, ISSN 0002-7863, 11/2016, Volume 138, Issue 43, pp. 14312 - 14325
In biology, high valent oxo–iron­(IV) species have been shown to be pivotal intermediates for functionalization of C–H bonds in the catalytic cycles of a range... 
H BOND ACTIVATION | FE-IV=O | PARAMAGNETIC-RESONANCE | ACTIVE-SITE | VALENT IRON(IV)-OXO COMPLEXES | C-TERM SIGNS | TRANSITION-METAL | 2-STATE REACTIVITY | SPIN OXOIRON(IV) COMPLEX | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, MULTIDISCIPLINARY
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4. Full Text Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non‐Heme Oxoiron(IV) Complex that Makes it a Better Oxidant
by Rasheed, Waqas and Draksharapu, Apparao and Banerjee, Saikat and Young, Victor G and Fan, Ruixi and Guo, Yisong and Ozerov, M and Nehrkorn, Joscha and Krzystek, J and Telser, Joshua and Que, Lawrence
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2018, Volume 57, Issue 30, pp. 9387 - 9391
Oxoiron(IV) units are often implicated as intermediates in the catalytic cycles of non‐heme iron oxygenases and oxidases. The most reactive synthetic analogues... 
hydrogen atom transfer (HAT) | oxoiron(IV) complexes | non-heme iron complexes | two-state reactivity | OXIDATION REACTIONS | SPIN | REACTIVITY | DFT CALCULATIONS | CHEMISTRY, MULTIDISCIPLINARY | C-H BONDS | IRON(IV) OXO COMPLEXES | SPECTROSCOPY | HIGH-FREQUENCY | (FEO)-O-IV COMPLEXES | ELECTRONIC-STRUCTURE | Oxidases | Alkaloids | Pyridine | Hydrogen | Crystals | Heme | Quinoline | Structure | Pyridines | Structural stability | Ligands | Iron | Catalysis | Coordination compounds | Crystallography | Crystal structure | Intermediates | Structural analysis
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5. Full Text A Highly Reactive Oxoiron(IV) Complex Supported by a Bioinspired N3O Macrocyclic Ligand
by Monte Pérez, Inés and Engelmann, Xenia and Lee, Yong‐Min and Yoo, Mi and Kumaran, Elumalai and Farquhar, Erik R and Bill, Eckhard and England, Jason and Nam, Wonwoo and Swart, Marcel and Ray, Kallol
Angewandte Chemie International Edition, ISSN 1433-7851, 11/2017, Volume 56, Issue 46, pp. 14384 - 14388
The sluggish oxidants [FeIV(O)(TMC)(CH3CN)]2+ (TMC=1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane) and [FeIV(O)(TMCN‐d12)(OTf)]+... 
oxoiron(IV) complexes | hydrogen atom transfer | spin state | O ligands | oxygen atom transfer | O ligands | OXIDATION | MECHANISM | ESCHERICHIA-COLI | OXO | STATE | KETOGLUTARATE DIOXYGENASE | CHEMISTRY, MULTIDISCIPLINARY | NONHEME (FEO)-O-IV COMPLEXES | INTERMEDIATE | TAUD | Enzymes | Hydroxylation | Oxalic acid | Hydrogen | Bonding strength | Ligands | Iron | Oxidants | Oxidizing agents
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6. Full Text Metal Ion-Coupled Electron Transfer of a Nonheme Oxoiron(IV) Complex: Remarkable Enhancement of Electron-Transfer Rates by Sc3
by Morimoto, Yuma and Kotani, Hiroaki and Park, Jiyun and Lee, Yong-Min and Nam, Wonwoo and Fukuzumi, Shunichi
Journal of the American Chemical Society, ISSN 0002-7863, 01/2011, Volume 133, Issue 3, pp. 403 - 405
Rates of electron transfer from a series of one-electron reductants to a nonheme oxoiron(IV) complex, [(N4Py)FeIV(O)]2+, are enhanced as much as 108-fold by... 
OXIDATION | OXO | LEWIS | PHOTOSYSTEM-II | CHEMISTRY | INTERMEDIATE | REDOX | LIGAND | CHEMISTRY, MULTIDISCIPLINARY | IRON(IV) | WATER | Scandium - chemistry | Electron Transport | Electron Spin Resonance Spectroscopy | Heme - chemistry | Metals - chemistry | Iron Compounds - chemistry
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7. Full Text A Highly Reactive Oxoiron(IV) Complex Supported by a Bioinspired N3O Macrocylic Ligand
by Pérez, Inés Monte and Engelmann, Xenia and Lee, Yong-Min and Yoo, Mi and Elumalai, Kumaran and Farquhar, Erik R and Bill, Eckhard and England, Jason and Nam, Wonwoo and Swart, Marcel and Ray, Kallol
Angewandte Chemie (International ed. in English), ISSN 1433-7851, 11/2017, Volume 56, Issue 46, pp. 14384 - 14388
The sluggish oxidants, [Fe IV (O)(TMC)(CH 3 CN)] 2+ (TMC = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane) and [Fe IV (O)( d 12 -TMCN)(OTf)] + ( 3d ; d... 
Oxygen Atom Transfer | Hydrogen Atom Transfer | Oxoiron(IV) Complex | Oxygen-Based Ligands | Spin State Effect
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8. Full Text Nonheme oxoiron(iv) complexes of pentadentate N5 ligands: Spectroscopy, electrochemistry, and oxidative reactivity
by Wang, Dong and Ray, Kallol and Collins, Michael J and Farquhar, Erik R and Frisch, Jonathan R and Gómez, Laura and Jackson, Timothy A and Kerscher, Marion and Waleska, Arkadius and Comba, Peter and Costas, Miquel and Que, Lawrence and Brookhaven National Laboratory (BNL)
Chemical Science, ISSN 2041-6520, 2013, Volume 4, Issue 1, pp. 282 - 291
Oxoiron(IV) species have been found to act as the oxidants in the catalytic cycles of several mononuclear nonheme iron enzymes that activate dioxygen. To gain... 
VALENT IRON-OXO | OXYGEN ACTIVATION | FE-IV=O | HYDROGEN-ATOM ABSTRACTION | ELECTRON-TRANSFER PROPERTIES | 2-STATE REACTIVITY | SPIN FE(IV) INTERMEDIATE | IRON(IV)-OXO COMPLEX | RUTHENIUM(IV)-OXO COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY | C-H BONDS | Enzymes | Pyridines | Spectroscopy | Amines | Ligands | Iron | Deviation | Electrode potentials
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9. Full Text Frontispiece: A Highly Reactive Oxoiron(IV) Complex Supported by a Bioinspired N3O Macrocyclic Ligand
by Monte Pérez, Inés and Engelmann, Xenia and Lee, Yong‐Min and Yoo, Mi and Kumaran, Elumalai and Farquhar, Erik R and Bill, Eckhard and England, Jason and Nam, Wonwoo and Swart, Marcel and Ray, Kallol
Angewandte Chemie International Edition, ISSN 1433-7851, 11/2017, Volume 56, Issue 46, p. n/a
Iron Oxo Complexes In their Communication on page 14384 ff., W. Nam, M. Swart, K. Ray, et al. show that the oxoiron(IV) center in [FeIV(O)(TMCO)(OTf)]+ (bottom... 
oxoiron(IV) complexes | hydrogen atom transfer | spin state | O ligands | oxygen atom transfer | Hydrogen | Coordination compounds | Iron
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10. Full Text An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base
by England, Jason and Bigelow, Jennifer O and Van Heuvelen, Katherine M and Farquhar, Erik R and Martinho, Marléne and Meier, Katlyn K and Frisch, Jonathan R and Münck, Eckard and Que, Jr, Lawrence
Chemical science, ISSN 2041-6520, 03/2014, Volume 5, Issue 3, pp. 1204 - 1215
Treatment of [Fe ( )](OTf) ( ), (where = 1,4,8-Me cyclam-11-CH C(O)NMe ) with iodosylbenzene yielded the corresponding = 1 oxoiron(IV) complex [Fe (O( )](OTf)... 
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11. Full Text An ultra-stable oxoiron(iv) complex and its blue conjugate base
by England, Jason and Bigelow, Jennifer O and Van Heuvelen, Katherine M and Farquhar, Erik R and Martinho, Marléne and Meier, Katlyn K and Frisch, Jonathan R and Münck, Eckard and Que, Lawrence
Chemical Science, ISSN 2041-6520, 2014, Volume 5, Issue 3, pp. 1204 - 1215
Treatment of [Fe-II(L)](OTf)(2) (4), (where L = 1,4,8-Me(3)cyclam-11-CH2C(O)NMe2) with iodosylbenzene yielded the corresponding S = 1 oxoiron(IV) complex... 
COPPER-COMPLEXES | NONHEME | CRYSTAL-STRUCTURE | SIDE-CHAIN | IRON-OXO COMPLEXES | X-RAY | 2-STATE REACTIVITY | FUNCTIONAL-GROUPS | SPIN FE(IV) COMPLEX | CHEMISTRY, MULTIDISCIPLINARY | CU-2+ COMPLEXES | Spectroscopy | Conjugates | Stability | Similarity | Mathematical analysis | X-rays | Rafts | Mass spectrometry
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12. Full Text C–H Bond Cleavage by Bioinspired Nonheme Oxoiron(IV) Complexes, Including Hydroxylation of n‑Butane
by Kleespies, Scott T and Oloo, Williamson N and Mukherjee, Anusree and Que, Lawrence
Inorganic Chemistry, ISSN 0020-1669, 06/2015, Volume 54, Issue 11, pp. 5053 - 5064
The development of efficient and selective hydrocarbon oxidation processes with low environmental impact remains a major challenge of the 21st century because... 
FE-2(MU-O) DIAMOND CORE | FE-IV=O | ALPHA-KETOGLUTARATE DIOXYGENASE | EXCHANGE-ENHANCED REACTIVITY | SPECTROSCOPIC EVIDENCE | HEME-CONTAINING OXYGENASES | IRON-OXO COMPLEXES | SPIN FE(IV) INTERMEDIATE | IRON(IV)-OXO COMPLEX | SOLUBLE METHANE MONOOXYGENASE | CHEMISTRY, INORGANIC & NUCLEAR | Oxidants - chemistry | Hydroxylation | Oxidation-Reduction | Iron Compounds - chemistry | Oxygen - chemistry | Models, Molecular | Cyclohexanes - chemistry | Butanes - chemistry | Chemical bonds | Butane | Iron compounds | Chemical properties | Research | Index Medicus
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13. Full Text Axial Ligand Effects on the Geometric and Electronic Structures of Nonheme Oxoiron(IV) Complexes
by Jackson, Timothy A and Rohde, Jan-Uwe and Seo, Mi Sook and Sastri, Chivukula V and DeHont, Raymond and Stubna, Audria and Ohta, Takehiro and Kitagawa, Teizo and Münck, Eckard and Nam, Wonwoo and Que, Lawrence
Journal of the American Chemical Society, ISSN 0002-7863, 09/2008, Volume 130, Issue 37, pp. 12394 - 12407
A series of complexes [FeIV(O)(TMC)(X)]+ (where X = OH−, CF3CO2 −, N3 −, NCS−, NCO−, and CN−) were obtained by treatment of the well-characterized nonheme... 
OXYGEN ACTIVATION | RAY-ABSORPTION SPECTROSCOPY | EXCITATION-ENERGIES | ALPHA-KETOGLUTARATE DIOXYGENASE | ALKANE HYDROXYLATION | ESCHERICHIA-COLI | 2-STATE REACTIVITY | DENSITY-FUNCTIONAL THEORY | SPIN FE(IV) COMPLEX | FE-IV=O COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY | Lactams, Macrocyclic - chemistry | Iron Compounds - chemistry | Spectroscopy, Mossbauer | Ligands | Spectrum Analysis, Raman | Ferrous Compounds - chemistry | Nonheme Iron Proteins - chemistry | Oxo compounds | Spectra | Iron compounds | Electron configuration | Research | Structure
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14. Full Text Facile and Reversible Formation of Iron(III)-Oxo-Cerium(IV) Adducts from Nonheme Oxoiron(IV) Complexes and Cerium(III)
by Draksharapu, A and Rasheed, W and Klein, JEMN and Que, L
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, ISSN 1433-7851, 07/2017, Volume 56, Issue 31, pp. 9091 - 9095
Ceric ammonium nitrate (CAN) or Ce-IV(NH4)(2)- (NO3)(6) is often used in artificial water oxidation and generally considered to be an outer-sphere oxidant.... 
MOLECULAR CATALYSTS | ACTIVATION | EXCHANGE-ENHANCED REACTIVITY | cerium | CRYSTAL-STRUCTURE | spin crossover | CHEMISTRY, MULTIDISCIPLINARY | electron transfer | water oxidation | COUPLED ELECTRON-TRANSFER | IRON COMPLEXES | 2-STATE REACTIVITY | CHEMISTRY | iron | LIGAND
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15. Full Text Facile and Reversible Formation of Iron(III)–Oxo–Cerium(IV) Adducts from Nonheme Oxoiron(IV) Complexes and Cerium(III)
by Draksharapu, Apparao and Rasheed, Waqas and Klein, Johannes E. M. N and Que, Lawrence
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2017, Volume 56, Issue 31, pp. 9091 - 9095
Ceric ammonium nitrate (CAN) or CeIV(NH4)2(NO3)6 is often used in artificial water oxidation and generally considered to be an outer‐sphere oxidant. Herein we... 
iron | electron transfer | water oxidation | spin crossover | cerium | Spectrometry, Mass, Electrospray Ionization | Oxidation-Reduction | Cerium - chemistry | Molecular Conformation | Crystallography, X-Ray | Ferric Compounds - chemistry | Spectrophotometry | Coordination Complexes - chemistry | OSMAPENTALENE | STABILIZATION | RINGS | DELOCALIZATION | CARBYNE | CHEMISTRY, MULTIDISCIPLINARY | SIGMA-AROMATICITY | TRANSITION-METAL | CHEMISTRY | CLASSICAL ANTIAROMATIC FRAMEWORKS | METALLABENZENES | Ammonium | Nitrate | Ammonium nitrate | Cerium | Nitrates | Iron | Oxidation | Equilibrium | Crystallography | Adducts
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16. Full Text Steric control and the mechanism of benzaldehyde oxidation by polypyridyl oxoiron(IV) complexes: Aromatic: versus benzylic hydroxylation of aromatic aldehydes
by Turcas, Ramona and Lakk-Bogáth, Dóra and Speier, Gábor and Kaizer, József
Dalton Transactions, ISSN 1477-9226, 2018, Volume 47, Issue 10, pp. 3248 - 3252
The present study describes the first example of the hydroxylation of benzaldehydes by synthetic nonheme oxoiron(IV) complexes, where the reactivity,... 
OXYGEN ACTIVATION | ANGSTROM RESOLUTION | PHENYLALANINE-HYDROXYLASE | TYROSINE-HYDROXYLASE | SELF-HYDROXYLATION | TRYPTOPHAN-HYDROXYLASE | IRON-OXO COMPLEXES | SPIN FE(IV) INTERMEDIATE | AMINO-ACID HYDROXYLASES | TAURINE/ALPHA-KETOGLUTARATE DIOXYGENASE | CHEMISTRY, INORGANIC & NUCLEAR | Oxidation | Hydroxylation | Aldehydes | Benzaldehyde
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17. Full Text Steric control and the mechanism of benzaldehyde oxidation by polypyridyl oxoiron(iv) complexes: aromatic versus benzylic hydroxylation of aromatic aldehydes
by Turcas, Ramona and Lakk-Bogáth, Dóra and Speier, Gábor and Kaizer, József
Dalton transactions (Cambridge, England : 2003), ISSN 1477-9226, 02/2018, Volume 47, Issue 10, pp. 3248 - 3252
The present study describes the first example of the hydroxylation of benzaldehydes by synthetic nonheme oxoiron(iv) complexes, where the reactivity,... 
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18. Full Text A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
by McDonald, Aidan R and Guo, Yisong and Vu, Van V and Bominaar, Emile L and Münck, Eckard and Que, Jr, Lawrence
Chemical science, ISSN 2041-6520, 2012, Volume 3, pp. 1680 - 1693
The pentadentate ligand (n)Bu-P2DA (2(b), (n)Bu-P2DA = N-(1',1'-bis(2-pyridyl)pentyl)iminodiacetate) was designed to bind an iron center in a carboxylate-rich... 
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19. Full Text A mononuclear carboxylate-rich oxoiron(iv) complex: A structural and functional mimic of TauD intermediate 'J'
by McDonald, Aidan R and Guo, Yisong and Vu, Van V and Bominaar, Emile L and Münck, Eckard and Que Jr, Lawrence and BROOKHAVEN NATIONAL LABORATORY (BNL)
Chemical Science, ISSN 2041-6520, 05/2012, Volume 3, Issue 5, pp. 1680 - 1693
The pentadentate ligand Bu-n-P2DA (2(b), Bu-n-P2DA N-(1',1'-bis(2-pyridyl) pentyl)iminodiacetate) was designed to bind an iron center in a carboxylate-rich... 
H BOND-CLEAVAGE | ALPHA-KETOGLUTARATE DIOXYGENASE | EXCHANGE-ENHANCED REACTIVITY | HYDROGEN-ATOM ABSTRACTION | 2-HIS-1-CARBOXYLATE FACIAL TRIAD | ACTIVE-SITES | ESCHERICHIA-COLI | SPIN FE(IV) INTERMEDIATE | FE-IV=O COMPLEX | NONHEME IRON(IV)-OXO COMPLEX | CHEMISTRY, MULTIDISCIPLINARY
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