Neutron Instruments for Research in Coordination Chemistry

Xue, Zi-Ling Ben; Ramirez-Cuesta, Anibal J.; Brown, Craig M.; Calder, Stuart A.; Cao, Huibo; Chakoumakos, Bryan C.; Daemen, Luke L.; Huq, Ashfia; Kolesnikov, Alexander I.; Mamontov, Eugene; Podlesnyak, Andrey A.; Wang, Xiaoping

doi:10.1002/ejic.201801076

Title: Neutron Instruments for Research in Coordination Chemistry

Journal Article · Sun Nov 25 00:00:00 EST 2018 · European Journal of Inorganic Chemistry

DOI:https://doi.org/10.1002/ejic.201801076· OSTI ID:1484103

Xue, Zi-Ling Ben ^[1];

^[2]; Brown, Craig M. ^[3];

^[2];

^[2]; Daemen, Luke L. ^[2];

^[2];

^[2]

Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Univ. of Delaware, Newark, DE (United States)

Neutron diffraction and spectroscopy offer unique insight into structures and properties of solids and molecular materials. All neutron instruments located at the various neutron sources are distinct, even if their designs are based on similar principles, and thus, they are usually less familiar to the community than commercial X‐ray diffractometers and optical spectrometers. Major neutron instruments in the USA, which are open to scientists around the world, and examples of their use in coordination chemistry research are presented here, along with a list of similar instruments at main neutron facilities in other countries. The reader may easily and quickly find from this minireview an appropriate neutron instrument for research. The instruments include single‐crystal and powder diffractometers to determine structures, inelastic neutron scattering (INS) spectrometers to probe magnetic and vibrational excitations, and quasielastic neutron scattering (QENS) spectrometers to study molecular dynamics such as methyl rotation on ligands. Key and unique features of the diffraction and neutron spectroscopy that are relevant to inorganic chemistry are reviewed.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1484103

Alternate ID(s):: OSTI ID: 1491766

Journal Information:: European Journal of Inorganic Chemistry, Vol. 2019, Issue 8; ISSN 1434-1948

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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Role of Cation Ordering and Surface Segregation in High-Voltage Spinel LiMn _1.5 Ni _{0.5– x} M _x O ₄ (M = Cr, Fe, and Ga) Cathodes for Lithium-Ion Batteries Shin, Dong Wook; Bridges, Craig A.; Huq, Ashfia Chemistry of Materials, Vol. 24, Issue 19 https://doi.org/10.1021/cm301844w	journal	September 2012
Vibrational Density of States of Strongly H-Bonded Interfacial Water: Insights from Inelastic Neutron Scattering and Theory Wang, Hsiu-Wen; DelloStritto, Mark J.; Kumar, Nitin The Journal of Physical Chemistry C, Vol. 118, Issue 20 https://doi.org/10.1021/jp500954v	journal	May 2014
Vibrational Spectroscopy with Neutrons Mitchell, Philip C. H.; Parker, Stewart F.; Ramirez-Cuesta, Anibal J. https://doi.org/10.1142/5628	book	June 2005
Excitations in a Four-Leg Antiferromagnetic Heisenberg Spin Tube Garlea, V. O.; Zheludev, A.; Regnault, L. -P. Physical Review Letters, Vol. 100, Issue 3 https://doi.org/10.1103/PhysRevLett.100.037206	journal	January 2008
Proton dynamics of two-dimensional oxalate-bridged coordination polymers Miyatsu, Satoshi; Kofu, Maiko; Nagoe, Atsushi Phys. Chem. Chem. Phys., Vol. 16, Issue 32 https://doi.org/10.1039/C4CP01432D	journal	January 2014
Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr) Rosenbach, Nilton; Jobic, Hervé; Ghoufi, Aziz Angewandte Chemie International Edition, Vol. 47, Issue 35 https://doi.org/10.1002/anie.200801748	journal	August 2008
Resolution of VISION, a crystal-analyzer spectrometer Seeger, Philip A.; Daemen, Luke L.; Larese, John Z. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 604, Issue 3 https://doi.org/10.1016/j.nima.2009.03.204	journal	June 2009
Critical Factors Driving the High Volumetric Uptake of Methane in Cu ₃ (btc) ₂ Hulvey, Zeric; Vlaisavljevich, Bess; Mason, Jarad A. Journal of the American Chemical Society, Vol. 137, Issue 33 https://doi.org/10.1021/jacs.5b06657	journal	August 2015
Magnetic neutron scattering of thermally quenched K-Co-Fe Prussian blue analog photomagnet Pajerowski, Daniel M.; Garlea, V. Ovidiu; Knowles, Elisabeth S. Physical Review B, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevB.86.054431	journal	August 2012
Neutron scattering study of a quasi-two-dimensional spin- $\frac{1}{2}$ dimer system: Piperazinium hexachlorodicuprate under hydrostatic pressure Hong, Tao; Stock, C.; Cabrera, I. Physical Review B, Vol. 82, Issue 18 https://doi.org/10.1103/PhysRevB.82.184424	journal	November 2010
A Rod-Packing Microporous Hydrogen-Bonded Organic Framework for Highly Selective Separation of C ₂ H ₂ /CO ₂ at Room Temperature Li, Peng; He, Yabing; Zhao, Yunfeng Angewandte Chemie, Vol. 127, Issue 2 https://doi.org/10.1002/ange.201410077	journal	November 2014
Powder Diffraction: Theory and Practice Dinnebier, R. E.; Billinge, S. J. L. https://doi.org/10.1039/9781847558237	book	March 2008
Orientation of Organic Cations in Hybrid Inorganic–Organic Perovskite CH ₃ NH ₃ PbI ₃ from Subatomic Resolution Single Crystal Neutron Diffraction Structural Studies Ren, Yixin; Oswald, Iain W. H.; Wang, Xiaoping Crystal Growth & Design, Vol. 16, Issue 5 https://doi.org/10.1021/acs.cgd.6b00297	journal	April 2016
Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN) ₆ -based Prussian Blue Analogue Induced by Guest Species Gao, Qilong; Chen, Jun; Sun, Qiang Angewandte Chemie International Edition, Vol. 56, Issue 31 https://doi.org/10.1002/anie.201702955	journal	June 2017
Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using ² H NMR and Neutron Scattering Kolokolov, D. I.; Stepanov, A. G.; Guillerm, V. The Journal of Physical Chemistry C, Vol. 116, Issue 22 https://doi.org/10.1021/jp3029193	journal	May 2012
Experimental validation of the brightness distribution on the surfaces of coupled and decoupled moderators composed of 99.8% parahydrogen at the J-PARC pulsed spallation neutron source Harada, Masahide; Teshigawara, Makoto; Ohi, Motoki Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 903 https://doi.org/10.1016/j.nima.2018.06.011	journal	September 2018
Adsorption and Diffusion of Light Hydrocarbons in UiO-66(Zr): A Combination of Experimental and Modeling Tools Ramsahye, N. A.; Gao, J.; Jobic, H. The Journal of Physical Chemistry C, Vol. 118, Issue 47 https://doi.org/10.1021/jp509672c	journal	November 2014
Inelastic Neutron Scattering Study of Electron Reduction in Mn ₁₂ Derivatives Basler, Reto; Sieber, Andreas; Chaboussant, Grégory Inorganic Chemistry, Vol. 44, Issue 3 https://doi.org/10.1021/ic048931p	journal	February 2005
Whole powder pattern decomposition methods and applications: A retrospection Le Bail, Armel Powder Diffraction, Vol. 20, Issue 4 https://doi.org/10.1154/1.2135315	journal	December 2005
Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations Bao, Zongbi; Xie, Danyan; Chang, Ganggang Journal of the American Chemical Society, Vol. 140, Issue 13 https://doi.org/10.1021/jacs.7b13706	journal	March 2018
Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr) Rosenbach, Nilton; Jobic, Hervé; Ghoufi, Aziz Angewandte Chemie, Vol. 120, Issue 35 https://doi.org/10.1002/ange.200801748	journal	August 2008
A Rod-Packing Microporous Hydrogen-Bonded Organic Framework for Highly Selective Separation of C ₂ H ₂ /CO ₂ at Room Temperature Li, Peng; He, Yabing; Zhao, Yunfeng Angewandte Chemie International Edition https://doi.org/10.1002/anie.201410077	journal	November 2014
Nano-Confinement inside Molecular Metal Oxide Clusters: Dynamics and Modified Encapsulation Behavior Wang, Zhe; Daemen, Luke L.; Cheng, Yongqiang Chemistry - A European Journal https://doi.org/10.1002/chem.201603239	journal	July 2016
Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S = 1 quantum antiferromagnet Brambleby, Jamie; Manson, Jamie L.; Goddard, Paul A. American Physical Society https://doi.org/10.7892/boris.99490	text	January 2017
External magnetic field effects on a distorted kagome antiferromagnet Kim, J. -H.; Ji, S.; Lee, S. -H. arXiv https://doi.org/10.48550/arxiv.0806.0767	text	January 2008
Structural and magnetic phase diagram of CeFeAsO1-xFx and its relationship to high-temperature superconductivity Zhao, Jun; Huang, Q.; de la Cruz, Clarina arXiv https://doi.org/10.48550/arxiv.0806.2528	text	January 2008
High pressure floating zone growth and structural properties of ferrimagnetic quantum paraelectric BaFe$_{12}$O$_{19}$ Cao, H. B.; Zhao, Z. Y.; Lee, M. arXiv https://doi.org/10.48550/arxiv.1503.02568	text	January 2015
Bound spinons in an antiferromagnetic S=1/2 chain with a staggered field Kenzelmann, M.; Chen, Y.; Broholm, C. arXiv https://doi.org/10.48550/arxiv.cond-mat/0305476	text	January 2003
Neutron scattering from a coordination polymer quantum paramagnet Hong, Tao; Kenzelmann, M.; Turnbull, M. M. arXiv https://doi.org/10.48550/arxiv.cond-mat/0603592	text	January 2006

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Neutron Scattering in Coordination Chemistry: Neutron Scattering in Coordination Chemistry Stride, John A.; Queen, Wendy L.; Romerosa, Antonio European Journal of Inorganic Chemistry, Vol. 2019, Issue 8 https://doi.org/10.1002/ejic.201900135	journal	February 2019
Ferromagnetic Ising chains in frustrated LnODCO ₃ : the influence of magnetic structure in magnetocaloric frameworks Dixey, Richard J. C.; Stenning, Gavin B. G.; Manuel, Pascal Journal of Materials Chemistry C, Vol. 7, Issue 42 https://doi.org/10.1039/c9tc04980k	journal	January 2019

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