Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

Getsoian, Andrew “Bean”; Das, Ujjal; Camacho-Bunquin, Jeffrey; Zhang, Guanghui; Gallagher, James R.; Hu, Bo; Cheah, Singfoong; Schaidle, Joshua A.; Ruddy, Daniel A.; Hensley, Jesse E.; Krause, Theodore R.; Curtiss, Larry A.; Miller, Jeffrey T.; Hock, Adam S.

doi:10.1039/C6CY00698A

Title: Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

Journal Article · Fri Jan 01 00:00:00 EST 2016 · Catalysis Science and Technology

DOI:https://doi.org/10.1039/C6CY00698A· OSTI ID:1313606

Getsoian, Andrew “Bean”; Das, Ujjal; Camacho-Bunquin, Jeffrey; Zhang, Guanghui; Gallagher, James R.; Hu, Bo; Cheah, Singfoong; Schaidle, Joshua A.; Ruddy, Daniel A.; Hensley, Jesse E.; Krause, Theodore R.; Curtiss, Larry A.; Miller, Jeffrey T.; Hock, Adam S.

Gallium-modified zeolites are known catalysts for the dehydrogenation of alkanes, reactivity that finds industrial application in the aromatization of light alkanes by Ga-ZSM5. While the role of gallium cations in alkane activation is well known, the oxidation state and coordination environment of gallium under reaction conditions has been the subject of debate. Edge shifts in Ga K-edge XANES spectra acquired under reaction conditions have long been interpreted as evidence for reduction of Ga(III) to Ga(I). However, a change in oxidation state is not the only factor that can give rise to a change in the XANES spectrum. In order to better understand the XANES spectra of working catalysts, we have synthesized a series of molecular model compounds and grafted surface organometallic Ga species and compared their XANES spectra to those of gallium-based catalysts acquired under reducing conditions. We demonstrate that changes in the identity and number of gallium nearest neighbors can give rise to changes in XANES spectra similar to those attributed in literature to changes in oxidation state. Specifically, spectral features previously attributed to Ga(I) may be equally well interpreted as evidence for low-coordinate Ga(III) alkyl or hydride species. These findings apply both to gallium-impregnated zeolite catalysts and to silica-supported single site gallium catalysts, the latter of which is found to be active and selective for dehydrogenation of propane and hydrogenation of propylene.

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Research Organization:: National Renewable Energy Lab. (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainable Transportation Office. Bioenergy Technologies Office; NREL Laboratory Directed Research and Development (LDRD)

DOE Contract Number:: AC36-08GO28308

OSTI ID:: 1313606

Report Number(s):: NREL/JA-5100-67032

Journal Information:: Catalysis Science and Technology, Vol. 6, Issue 16; ISSN 2044-4753

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (77)

Transformation of propane into aromatic hydrocarbons over ZSM-5 zeolites Kitagawa, H. Journal of Catalysis, Vol. 101, Issue 1 https://doi.org/10.1016/0021-9517(86)90223-X	journal	September 1986
Ga2O3/HZSM-5 propane aromatization catalysts: Formation of active centers via solid-state reaction Price, G. Journal of Catalysis, Vol. 126, Issue 1 https://doi.org/10.1016/0021-9517(90)90065-R	journal	November 1990
Propane conversion over zeolite catalysts: Comments on the role of Ga Buckles, Gavin; Hutchings, Graham J.; Williams, Craig D. Catalysis Letters, Vol. 8, Issue 2-4 https://doi.org/10.1007/BF00764107	journal	January 1991
Parameters affecting the dispersion of the gallium phase of gallium H-MFI aromatization catalysts Joly, J. F.; Ajot, H.; Merlen, E. Applied Catalysis A: General, Vol. 79, Issue 2 https://doi.org/10.1016/0926-860X(91)80010-V	journal	December 1991
Effects of pretreatments on state of gallium and aromatization activity of gallium/ZSM-5 catalysts Dooley, Kerry M.; Chang, Chauchyun; Price, Geoffrey L. Applied Catalysis A: General, Vol. 84, Issue 1 https://doi.org/10.1016/0926-860X(92)80336-B	journal	May 1992
Ga2O3/HZSM5 propane aromatization catalysts. Influence of the hydrogen pretreatment on the acid and redox functions Barre, M.; Gnep, N. S.; Magnoux, P. Catalysis Letters, Vol. 21, Issue 3-4 https://doi.org/10.1007/BF00769479	journal	January 1993
The Chemical State of Gallium in Working Alkane Dehydrocyclodimerization Catalysts. In situ Gallium K-Edge X-Ray Absorption Spectroscopy Meitzner, G.; Iglesia, E.; Baumgartner, J. Journal of Catalysis, Vol. 140, Issue 1, p. 209-225 https://doi.org/10.1006/jcat.1993.1079	journal	March 1993
Effect of Ga/Proton Balance in Ga/HZSM-5 Catalysts on C3 Conversion to Aromatics Kwak, B. S.; Sachtler, W. M. H. Journal of Catalysis, Vol. 145, Issue 2 https://doi.org/10.1006/jcat.1994.1056	journal	February 1994
H-Gallosilicate (MFI) Propane Aromatization Catalyst: Influence of Si/Ga Ratio on Acidity, Activity and Deactivation Due to Coking Choudhary, V. R.; Kinage, A. K.; Sivadinarayana, C. Journal of Catalysis, Vol. 158, Issue 1 https://doi.org/10.1006/jcat.1996.0004	journal	January 1996
Pulse Reaction Studies on Variations of Initial Activity/Selectivity of O2and H2Pretreated Ga-Modified ZSM-5 Type Zeolite Catalysts in Propane Aromatization Choudhary, V. R.; Kinage, A. K.; Sivadinarayana, C. Journal of Catalysis, Vol. 158, Issue 1 https://doi.org/10.1006/jcat.1996.0003	journal	January 1996
Various types of Ga in MFI metallosilicates: characterization and catalytic activity Brabec, L.; Jeschke, M.; Klik, R. Applied Catalysis A: General, Vol. 167, Issue 2 https://doi.org/10.1016/S0926-860X(97)00325-6	journal	February 1998
Incorporation of Gallium into Zeolites: Syntheses, Properties and Catalytic Application Fricke, Rolf; Kosslick, Hendrik; Lischke, Günter Chemical Reviews, Vol. 100, Issue 6 https://doi.org/10.1021/cr9411637	journal	June 2000
Role of gallium species on the dehydrocyclodimerization of propane on ZSM5 catalysts Gnep, N. S.; Doyement, J. Y.; Guisnet, M. Journal of Molecular Catalysis, Vol. 45, Issue 3 https://doi.org/10.1016/0304-5102(88)80060-9	journal	May 1988
Transformation of Lower Alkanes into Aromatic Hydrocarbons over ZSM-5 Zeolites Ono, Yoshio Catalysis Reviews, Vol. 34, Issue 3 https://doi.org/10.1080/01614949208020306	journal	August 1992
Aromatization of short chain alkanes on zeolite catalysts Guisnet, M.; Gnep, N. S.; Alario, F. Applied Catalysis A: General, Vol. 89, Issue 1 https://doi.org/10.1016/0926-860X(92)80075-N	journal	September 1992
Kinetic coupling and hydrogen surface fugacities in heterogeneous catalysis: I. Alkane reactions on Te/NaX, H-ZSM5, and Ga/H-ZSM5 Iglesia, Enrique; Baumgartner, Joseph E.; Price, Geoffrey L. Journal of Catalysis, Vol. 134, Issue 2 https://doi.org/10.1016/0021-9517(92)90342-F	journal	April 1992
Hydrogen transfer and activation of propane and methane on ZSM5-based catalysts Iglesia, Enrique; Baumgartner, Joseph E. Catalysis Letters, Vol. 21, Issue 1-2 https://doi.org/10.1007/BF00767371	journal	January 1993
Catalytic Conversion of Propane to Aromatics: Effects of Adding Ga and/or Pt to HZSM-5 Kwak, B. S.; Sachtler, W. M. H.; Haag, W. O. Journal of Catalysis, Vol. 149, Issue 2 https://doi.org/10.1006/jcat.1994.1313	journal	October 1994
Catalytic dehydrogenation of alkanes on Pt/Na-[Fe]ZSM5 and staged O2 introduction for selective H2 removal Waku, T. Journal of Catalysis, Vol. 222, Issue 2 https://doi.org/10.1016/j.jcat.2003.12.011	journal	March 2004
Dehydrogenation of propane to propene over gallium oxide in the presence of CO2 Michorczyk, P. Applied Catalysis A: General, Vol. 251, Issue 2 https://doi.org/10.1016/S0926-860X(03)00368-5	journal	September 2003
Dehydrogenation of propane to propene over different polymorphs of gallium oxide Zheng, B.; Hua, W.; Yue, Y. Journal of Catalysis, Vol. 232, Issue 1 https://doi.org/10.1016/j.jcat.2005.03.001	journal	May 2005
Synthesis and characterization of conventional and mesoporous Ga-MFI for ethane dehydrogenation Leth, Karen Thrane; Rovik, Anne Krogh; Holm, Martin Spangsberg Applied Catalysis A: General, Vol. 348, Issue 2 https://doi.org/10.1016/j.apcata.2008.07.003	journal	October 2008
Tunable activity of [Ga]HZSM-5 with H2 treatment: Ethane dehydrogenation Ausavasukhi, Artit; Sooknoi, Tawan Catalysis Communications, Vol. 45 https://doi.org/10.1016/j.catcom.2013.10.026	journal	February 2014
Isolated Fe ^II on Silica As a Selective Propane Dehydrogenation Catalyst Hu, Bo; Schweitzer, Neil M.; Zhang, Guanghui ACS Catalysis, Vol. 5, Issue 6 https://doi.org/10.1021/acscatal.5b00248	journal	May 2015
Selective propane dehydrogenation with single-site CoII on SiO2 by a non-redox mechanism Hu, Bo; “Bean” Getsoian, Andrew; Schweitzer, Neil M. Journal of Catalysis, Vol. 322 https://doi.org/10.1016/j.jcat.2014.10.018	journal	February 2015
Propylene Hydrogenation and Propane Dehydrogenation by a Single-Site Zn ²⁺ on Silica Catalyst Schweitzer, Neil M.; Hu, Bo; Das, Ujjal ACS Catalysis, Vol. 4, Issue 4 https://doi.org/10.1021/cs401116p	journal	March 2014
Heterolytic Activation of C–H Bonds on Cr ^III –O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane Conley, Matthew P.; Delley, Murielle F.; Núñez-Zarur, Francisco Inorganic Chemistry, Vol. 54, Issue 11 https://doi.org/10.1021/ic502696n	journal	March 2015
X-ray absorption measurement and density functional theory analysis of gallium in gallium-containing beta zeolites Wei, An-Chyi; Liu, Pang-Hung; Chao, Kuei-Jung Microporous and Mesoporous Materials, Vol. 47, Issue 2-3 https://doi.org/10.1016/S1387-1811(01)00323-7	journal	October 2001
In situ Ga K edge XANES study of the activation of Ga/ZSM-5 prepared by chemical vapor deposition of trimethylgallium Hensen, Emiel J. M.; García-Sánchez, Mayela; Rane, Neelesh Catalysis Letters, Vol. 101, Issue 1-2 https://doi.org/10.1007/s10562-004-3753-x	journal	May 2005
In Situ X-ray Absorption Study of the Genesis and Nature of the Reduced Gallium Species in Ga/HZSM5 Catalysts Faro, Arnaldo C.; Rodrigues, Victor de O.; Eon, Jean-Guillaume The Journal of Physical Chemistry C, Vol. 115, Issue 11 https://doi.org/10.1021/jp111635t	journal	February 2011
Crystal Chemistry of Gallium(I) in Oxides: Ga ⁺ -β‘‘-Alumina and GaZr ₂ (PO ₄ ) ₃ Wilkinson, A. P. Inorganic Chemistry, Vol. 36, Issue 8 https://doi.org/10.1021/ic961103e	journal	April 1997
On two alternative mechanisms of ethane activation over ZSM-5 zeolite modified by Zn2+ and Ga1+ cations Kazansky, V. B.; Subbotina, I. R.; Rane, N. Physical Chemistry Chemical Physics, Vol. 7, Issue 16 https://doi.org/10.1039/b506782k	journal	January 2005
A comprehensive density functional theory study of ethane dehydrogenation over reduced extra-framework gallium species in ZSM-5 zeolite Pidko, E.; Kazansky, V.; Hensen, E. Journal of Catalysis, Vol. 240, Issue 1 https://doi.org/10.1016/j.jcat.2006.03.011	journal	May 2006
Adsorption properties of oxidized gallium-modified zeolite ZSM-5 from diffuse-reflectance IR-spectroscopic and quantum-chemical data: II. Interaction with carbon monoxide and water Subbotina, I. R.; Sokolova, N. A.; Kuz’min, I. V. Kinetics and Catalysis, Vol. 49, Issue 1 https://doi.org/10.1134/S0023158408010199	journal	January 2008
High ethane dehydrogenation activity of [GaH]2+Al pair sites in Ga/H-[Al]ZSM-5: A DFT thermochemical analysis of the catalytic sites under reaction conditions Joshi, Y.; Thomson, K. Journal of Catalysis, Vol. 246, Issue 2 https://doi.org/10.1016/j.jcat.2006.11.032	journal	March 2007
The roles of gallium hydride and Brønsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis Joshi, Yogesh V.; Thomson, Kendall T. Catalysis Today, Vol. 105, Issue 1 https://doi.org/10.1016/j.cattod.2005.04.017	journal	July 2005
A Simple Route to Univalent Gallium Salts of Weakly Coordinating Anions Slattery, John M.; Higelin, Alexander; Bayer, Thomas Angewandte Chemie International Edition, Vol. 49, Issue 18 https://doi.org/10.1002/anie.201000156	journal	April 2010
Isolated cationic crown ether complexes of gallium(i) and indium(i) Higelin, Alexander; Haber, Christoph; Meier, Stefan Dalton Transactions, Vol. 41, Issue 39 https://doi.org/10.1039/c2dt30379e	journal	January 2012
Gallanes, Gallenes, Cyclogallenes, and Gallynes: Organometallic Chemistry about the Gallium−Gallium Bond Robinson, Gregory H. Accounts of Chemical Research, Vol. 32, Issue 9 https://doi.org/10.1021/ar980135y	journal	September 1999
Organometallic gallium(I) anions prepared by a reductive elimination reaction Beachley, O. T.; Simmons, Randall G. Inorganic Chemistry, Vol. 19, Issue 10 https://doi.org/10.1021/ic50212a041	journal	October 1980
Activation of olefins with low-valent gallium compounds under ambient conditions Caputo, Christine A.; Zhu, Zhongliang; Brown, Zachary D. Chemical Communications, Vol. 47, Issue 26 https://doi.org/10.1039/c1cc11676b	journal	January 2011
Synthesis, Characterization and Real Molecule DFT Calculations for Neutral Organogallium(I) Aryl Dimers and Monomers: Weakness of GalliumGallium Bonds in Digallenes and Digallynes Zhu, Zhongliang; Fischer, Roland C.; Ellis, Bobby D. Chemistry - A European Journal, Vol. 15, Issue 21 https://doi.org/10.1002/chem.200900201	journal	May 2009
Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr) _n ( n = 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga−Ga Multiple Bonding Hardman, Ned J.; Wright, Robert J.; Phillips, Andrew D. Journal of the American Chemical Society, Vol. 125, Issue 9 https://doi.org/10.1021/ja028579j	journal	March 2003
Synthesis and characterization of the monomer Ga{(NDippCMe)2CH} (Dipp = C6H3Pri2-2,6): a low valent gallium(i) carbene analogue Hardman, Ned J.; Eichler, Barrett E.; Power, Philip P. Chemical Communications, Issue 20 https://doi.org/10.1039/B005686N	journal	January 2000
Oligomerization and structural variation of alkali metal silyloxides McGeary, Michael J.; Folting, Kirsten; Streib, William E. Polyhedron, Vol. 10, Issue 23-24 https://doi.org/10.1016/S0277-5387(00)86170-7	journal	January 1991
Preparation and properties of ((trimethylsilyl)methyl)gallium(III) compounds Beachley, O. T.; Simmons, Randall G. Inorganic Chemistry, Vol. 19, Issue 4 https://doi.org/10.1021/ic50206a046	journal	April 1980
Synthesis and characterization of the mononuclear compounds tert-Bu2MOAr (M = aluminum or gallium, Ar = bulky aryl group): are the short Al-O and Ga-O bonds a consequence of .pi.-interactions? Petrie, Mark A.; Olmstead, Marilyn M.; Power, Philip P. Journal of the American Chemical Society, Vol. 113, Issue 23 https://doi.org/10.1021/ja00023a018	journal	November 1991
Koordinationsverbindungen von Metallalkylen mit Trimethylaminoxid, Trimethylphosphinoxid und Dimethylsulfoxid Schindler, Fritz; Schmidbaur, Hubert Chemische Berichte, Vol. 100, Issue 11 https://doi.org/10.1002/cber.19671001121	journal	November 1967
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr Schäfer, Ansgar; Huber, Christian; Ahlrichs, Reinhart The Journal of Chemical Physics, Vol. 100, Issue 8 https://doi.org/10.1063/1.467146	journal	April 1994
X-ray absorption spectroscopic study on the structure and crystallization of Ga-containing MFI-type zeolites Behrens, Peter; Kosslick, Hendrik Microporous Materials, Vol. 3, Issue 4-5 https://doi.org/10.1016/0927-6513(94)00054-Y	journal	January 1995
EXAFS study of alkali galliosilicate glasses Higby, Paige L.; Shelby, James E.; Phillips, James C. Journal of Non-Crystalline Solids, Vol. 105, Issue 1-2 https://doi.org/10.1016/0022-3093(88)90348-1	journal	October 1988
Deconvolution Analysis of Ga K-Edge XANES for Quantification of Gallium Coordinations in Oxide Environments Nishi, Koji; Shimizu, Ken-ichi; Takamatsu, Mikio The Journal of Physical Chemistry B, Vol. 102, Issue 50 https://doi.org/10.1021/jp982704p	journal	December 1998
An infrared study of pyridine adsorbed on acidic solids. Characterization of surface acidity Parry, E. Journal of Catalysis, Vol. 2, Issue 5 https://doi.org/10.1016/0021-9517(63)90102-7	journal	October 1963
An EXAFS study of jack bean urease, a nickel metalloenzyme Hasnain, S. S.; Piggott, B. Biochemical and Biophysical Research Communications, Vol. 112, Issue 1 https://doi.org/10.1016/0006-291X(83)91827-2	journal	April 1983
X-ray Spectroscopy of Nitric Oxide Binding to Iron in Inactive Nitrile Hydratase and a Synthetic Model Compound Scarrow, Robert C.; Strickler, Brent S.; Ellison, Jeffrey J. Journal of the American Chemical Society, Vol. 120, Issue 36 https://doi.org/10.1021/ja973291t	journal	September 1998
Structural characterization of horseradish peroxidase using EXAFS spectroscopy. Evidence for Fe = O ligation in compounds I and II Penner-Hahn, James E.; Smith Eble, Kim.; McMurry, Thomas J. Journal of the American Chemical Society, Vol. 108, Issue 24 https://doi.org/10.1021/ja00284a054	journal	November 1986
An X-ray Absorption Spectroscopic Structural Investigation of the Nickel Site in Escherichia coli NikA Protein Allan, Christian B.; Wu, Long-Fei; Gu, Zhijie Inorganic Chemistry, Vol. 37, Issue 22 https://doi.org/10.1021/ic980407t	journal	November 1998
Nickel L-Edge Soft X-ray Spectroscopy of Nickel−Iron Hydrogenases and Model CompoundsEvidence for High-Spin Nickel(II) in the Active Enzyme Wang, Hongxin; Ralston, C. Y.; Patil, D. S. Journal of the American Chemical Society, Vol. 122, Issue 43 https://doi.org/10.1021/ja000945g	journal	November 2000
Vanadyl tert -Butoxy Orthosilicate, OV[OSi(O ^t ^{Bu) ₃ ] ₃ : A Model for Isolated Vanadyl Sites on Silica and a Precursor to Vanadia−Silica Xerogels ^†} Rulkens, Ron; Male, Jonathan L.; Terry, Karl W. Chemistry of Materials, Vol. 11, Issue 10 https://doi.org/10.1021/cm990350o	journal	October 1999
On silsesquioxanes’ accuracy as molecular models for silica-grafted complexes in heterogeneous catalysis Quadrelli, Elsje Alessandra; Basset, Jean-Marie Coordination Chemistry Reviews, Vol. 254, Issue 5-6 https://doi.org/10.1016/j.ccr.2009.09.031	journal	March 2010
Homogeneous and Heterogeneous Catalysis: Bridging the Gap through Surface Organometallic Chemistry Copéret, Christophe; Chabanas, Mathieu; Petroff Saint-Arroman, Romain Angewandte Chemie International Edition, Vol. 42, Issue 2, p. 156-181 https://doi.org/10.1002/anie.200390072	journal	January 2003
Site-Isolated Pt-SBA15 Materials from Tris( tert -butoxy)siloxy Complexes of Pt(II) and Pt(IV) Ruddy, Daniel A.; Jarupatrakorn, Jonggol; Rioux, Robert M. Chemistry of Materials, Vol. 20, Issue 20 https://doi.org/10.1021/cm801598k	journal	October 2008
Formation of Digallium Sites in the Reaction of Trimethylgallium with Silica Taha, Ziyad A.; Deguns, Eric W.; Chattopadhyay, Swarup Organometallics, Vol. 25, Issue 8 https://doi.org/10.1021/om051034o	journal	April 2006
Coordination of boron in alkali borosilicate glasses using XANES Fleet, M. E.; Muthupari, S. Journal of Non-Crystalline Solids, Vol. 255, Issue 2-3 https://doi.org/10.1016/S0022-3093(99)00386-5	journal	October 1999
X-ray absorption near-edge spectroscopy (XANES) at the phosphorus K-edge of triorganophosphinechalcogenides Engemann, C.; Franke, R.; Hormes, J. Chemical Physics, Vol. 243, Issue 1-2 https://doi.org/10.1016/S0301-0104(99)00071-3	journal	May 1999
Single- and multiple-electron effects in the Si 1 s photoabsorption spectra of Si $X_{4}$ (X=H,D,F,Cl,Br, ${Ch}_{3}$ , $C_{2}$ $H_{5}$ , ${OCH}_{3}$ , ${OC}_{2}$ $H_{5}$ ) molecules: Experiment and theory Bodeur, S.; Millié, P.; Nenner, I. Physical Review A, Vol. 41, Issue 1 https://doi.org/10.1103/PhysRevA.41.252	journal	January 1990
L-edge X-ray Absorption Spectroscopy of Non-Heme Iron Sites: Experimental Determination of Differential Orbital Covalency Wasinger, Erik C.; de Groot, Frank M. F.; Hedman, Britt Journal of the American Chemical Society, Vol. 125, Issue 42 https://doi.org/10.1021/ja034634s	journal	October 2003
Ligand field effect on the chemical shift in XANES spectra of Cu(II) compounds Shimizu, Ken-ichi; Maeshima, Hajime; Yoshida, Hisao Physical Chemistry Chemical Physics, Vol. 3, Issue 5 https://doi.org/10.1039/b007276l	journal	January 2001
The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds Pantelouris, A.; Modrow, H.; Pantelouris, M. Chemical Physics, Vol. 300, Issue 1-3 https://doi.org/10.1016/j.chemphys.2003.12.017	journal	May 2004
Catalyst synthesis and evaluation using an integrated atomic layer deposition synthesis–catalysis testing tool Camacho-Bunquin, Jeffrey; Shou, Heng; Aich, Payoli Review of Scientific Instruments, Vol. 86, Issue 8 https://doi.org/10.1063/1.4928614	journal	August 2015
DRIFTS study of the chemical state of modifying gallium ions in reduced Ga/ZSM-5 prepared by impregnationI. Observation of gallium hydrides and application of CO adsorption as a molecular probe for reduced gallium ions Kazansky, V.; Subbotina, I.; Vansanten, R. Journal of Catalysis, Vol. 227, Issue 2 https://doi.org/10.1016/S0021-9517(04)00367-7	journal	October 2004
Characterization and reactivity of Ga+ and GaO+ cations in zeolite ZSM-5 Rane, N.; Overweg, A.; Kazansky, V. Journal of Catalysis, Vol. 239, Issue 2 https://doi.org/10.1016/j.jcat.2006.03.004	journal	April 2006

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XANES
ligand effects

Title: Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

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