Vibrational spectroscopy with neutrons: Recent developments
Abstract
Here in this short review, we will briefly summarise the differences between INS spectroscopy and conventional infrared and Raman spectroscopies. We will illustrate these with the current state-of-the art, using C70 as an example. The main focus of the article will be on the key advances in INS spectroscopy over the last ten years or so, that are driving new areas of research. The developments fall into three broad categories: (i) new sources, (ii) new and/or upgraded instrumentation and (iii) novel uses for existing instruments. For (i) we summarise the new neutron sources that are now, or will be, operating. For (ii) we show the capabilities of new or upgraded instruments. These offer unprecedented levels of sensitivity: sub-millimole quantities of hydrogen can be measured and millimole quantities of low cross section materials. Recent work on hexahalo metallates and adsorbed CO2 is used to demonstrate what is now feasible. For (iii), instruments that were designed for studies of magnetism, are now being used for molecular spectroscopy, especially for catalysts. This is illustrated with work on CuH and methanol synthesis catalysts.
- Authors:
-
- Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical & Engineering Materials Division
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1422531
- Alternate Identifier(s):
- OSTI ID: 1703893
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Spectrochimica Acta. Part A. Molecular and Biomolecular Spectroscopy (Print)
- Additional Journal Information:
- Journal Name: Spectrochimica Acta. Part A. Molecular and Biomolecular Spectroscopy (Print); Journal Volume: 190; Journal Issue: C; Journal ID: ISSN 1386-1425
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Inelastic neutron scattering; Vibrational spectroscopy; Ab initio; Infrared spectroscopy; Raman spectroscopy
Citation Formats
Parker, Stewart F., Ramirez-Cuesta, Anibal J., and Daemen, Luke L. Vibrational spectroscopy with neutrons: Recent developments. United States: N. p., 2017.
Web. doi:10.1016/j.saa.2017.09.057.
Parker, Stewart F., Ramirez-Cuesta, Anibal J., & Daemen, Luke L. Vibrational spectroscopy with neutrons: Recent developments. United States. https://doi.org/10.1016/j.saa.2017.09.057
Parker, Stewart F., Ramirez-Cuesta, Anibal J., and Daemen, Luke L. Thu .
"Vibrational spectroscopy with neutrons: Recent developments". United States. https://doi.org/10.1016/j.saa.2017.09.057. https://www.osti.gov/servlets/purl/1422531.
@article{osti_1422531,
title = {Vibrational spectroscopy with neutrons: Recent developments},
author = {Parker, Stewart F. and Ramirez-Cuesta, Anibal J. and Daemen, Luke L.},
abstractNote = {Here in this short review, we will briefly summarise the differences between INS spectroscopy and conventional infrared and Raman spectroscopies. We will illustrate these with the current state-of-the art, using C70 as an example. The main focus of the article will be on the key advances in INS spectroscopy over the last ten years or so, that are driving new areas of research. The developments fall into three broad categories: (i) new sources, (ii) new and/or upgraded instrumentation and (iii) novel uses for existing instruments. For (i) we summarise the new neutron sources that are now, or will be, operating. For (ii) we show the capabilities of new or upgraded instruments. These offer unprecedented levels of sensitivity: sub-millimole quantities of hydrogen can be measured and millimole quantities of low cross section materials. Recent work on hexahalo metallates and adsorbed CO2 is used to demonstrate what is now feasible. For (iii), instruments that were designed for studies of magnetism, are now being used for molecular spectroscopy, especially for catalysts. This is illustrated with work on CuH and methanol synthesis catalysts.},
doi = {10.1016/j.saa.2017.09.057},
journal = {Spectrochimica Acta. Part A. Molecular and Biomolecular Spectroscopy (Print)},
number = C,
volume = 190,
place = {United States},
year = {Thu Sep 21 00:00:00 EDT 2017},
month = {Thu Sep 21 00:00:00 EDT 2017}
}
Web of Science
Works referenced in this record:
Vibrational spectroscopy with neutrons—Where are we now?
journal, May 2010
- Kearley, G. J.; Johnson, M. R.
- Vibrational Spectroscopy, Vol. 53, Issue 1
Assignment of the Internal Vibrational Modes of C 70 by Inelastic Neutron Scattering Spectroscopy and Periodic-DFT
journal, May 2015
- Refson, Keith; Parker, Stewart F.
- ChemistryOpen, Vol. 4, Issue 5
The beryllium-filter spectrometer option on TAIPAN
journal, April 2016
- Stampfl, Anton P. J.; Eltobaji, Andrew; Darmann, Frank
- Neutron News, Vol. 27, Issue 2
VESPA: The vibrational spectrometer for the European Spallation Source
journal, June 2016
- Fedrigo, Anna; Colognesi, Daniele; Bertelsen, Mads
- Review of Scientific Instruments, Vol. 87, Issue 6
IN1-LAGRANGE – the new ILL instrument to explore vibration dynamics of complex materials
journal, November 2014
- Ivanov, Alexandre; Jimenéz-Ruiz, Mónica; Kulda, Jiri
- Journal of Physics: Conference Series, Vol. 554
Structure and Vibrational Spectra of 2,5-Diiodothiophene: A Model for Polythiophene
journal, June 2017
- Parker, Stewart F.; Parker, Jack L.; Jura, Marek
- The Journal of Physical Chemistry C, Vol. 121, Issue 23
Inelastic Neutron Scattering, Infrared, and Raman Spectroscopic Studies of Mg 2 FeH 6 and Mg 2 FeD 6
journal, November 1997
- Parker, Stewart F.; Williams, Kenneth P. J.; Bortz, Manfred
- Inorganic Chemistry, Vol. 36, Issue 23
K2MCl6 (M=Pt, Ir), location of the silent modes and forcefields
journal, January 1998
- Parker, Stewart F.; Bruce Forsyth, J.
- Journal of the Chemical Society, Faraday Transactions, Vol. 94, Issue 8
Evidence for CO2 reactive adsorption on nanoporous S- and N-doped carbon at ambient conditions
journal, January 2016
- Bandosz, Teresa J.; Seredych, Mykola; Rodríguez-Castellón, Enrique
- Carbon, Vol. 96
Vibrational Spectroscopy with Neutrons: A Review of New Directions
journal, December 2011
- Parker, Stewart F.; Lennon, David; Albers, Peter W.
- Applied Spectroscopy, Vol. 65, Issue 12
Inelastic Neutron Scattering Studies of Methyl Chloride Synthesis over Alumina
journal, February 2014
- Lennon, David; Parker, Stewart F.
- Accounts of Chemical Research, Vol. 47, Issue 4
The application of inelastic neutron scattering to investigate the ‘dry’ reforming of methane over an alumina-supported nickel catalyst operating under conditions where filamentous carbon formation is prevalent
journal, January 2013
- McFarlane, Andrew R.; Silverwood, Ian P.; Warringham, Robbie
- RSC Adv., Vol. 3, Issue 37
An in-depth understanding of the bimetallic effects and coked carbon species on an active bimetallic Ni(Co)/Al 2 O 3 dry reforming catalyst
journal, January 2016
- Liao, Xin; Gerdts, Rihards; Parker, Stewart F.
- Phys. Chem. Chem. Phys., Vol. 18, Issue 26
The application of inelastic neutron scattering to explore the significance of a magnetic transition in an iron based Fischer-Tropsch catalyst that is active for the hydrogenation of CO
journal, November 2015
- Warringham, Robbie; McFarlane, Andrew R.; MacLaren, Donald A.
- The Journal of Chemical Physics, Vol. 143, Issue 17
The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica
journal, January 2016
- McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.
- Physical Chemistry Chemical Physics, Vol. 18, Issue 26
Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process
journal, January 2016
- O'Malley, Alexander J.; Parker, Stewart F.; Chutia, Arunabhiram
- Chemical Communications, Vol. 52, Issue 14
Application of Inelastic Neutron Scattering to the Methanol-to-Gasoline Reaction Over a ZSM-5 Catalyst
journal, April 2016
- Howe, Russell F.; McGregor, James; Parker, Stewart F.
- Catalysis Letters, Vol. 146, Issue 7
An assessment of hydrocarbon species in the methanol-to-hydrocarbon reaction over a ZSM-5 catalyst
journal, January 2017
- Suwardiyanto, Suwardiyanto; Howe, Russell F.; Gibson, Emma K.
- Faraday Discussions, Vol. 197
Absorption of hydrogen in copper
journal, January 1995
- Elliott, A. J.; Sakakini, B.; Tabatabaei, J.
- Journal of the Chemical Society, Faraday Transactions, Vol. 91, Issue 20
Exploring monovalent copper compounds with oxygen and hydrogen
journal, January 2012
- Korzhavyi, P. A.; Soroka, I. L.; Isaev, E. I.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 3
How the Surface Structure Determines the Properties of CuH
journal, February 2015
- Bennett, Elliot; Wilson, Thomas; Murphy, Patrick J.
- Inorganic Chemistry, Vol. 54, Issue 5
Reinvestigation of Crystal Structure and Non-Stoichiometry in Copper Hydride, CuH 1- x (0 ≤ x ≤ 0.26): Reinvestigation of Crystal Structure in Copper Hydride
journal, July 2014
- Auer, Henry; Kohlmann, Holger
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 640, Issue 15
Structure and spectroscopy of CuH prepared via borohydride reduction
journal, November 2015
- Bennett, Elliot L.; Wilson, Thomas; Murphy, Patrick J.
- Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 71, Issue 6
Inelastic Neutron Scattering and Raman Spectroscopies and Periodic DFT Studies of Rb 2 PtH 6 and Rb 2 PtD 6
journal, September 2003
- Parker, Stewart F.; Bennington, Stephen M.; Ramirez-Cuesta, Anibal. J.
- Journal of the American Chemical Society, Vol. 125, Issue 38
Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts
journal, January 2016
- Kandemir, Timur; Friedrich, Matthias; Parker, Stewart F.
- Physical Chemistry Chemical Physics, Vol. 18, Issue 26
Adsorption of formate species on Cu(h,k,l) low index surfaces
journal, November 2016
- Chutia, Arunabhiram; Silverwood, Ian P.; Farrow, Matthew R.
- Surface Science, Vol. 653
The role of hydroxyl groups in low temperature carbon monoxide oxidation
journal, January 2011
- Parker, Stewart F.
- Chemical Communications, Vol. 47, Issue 7
Works referencing / citing this record:
Probing Magnetic Excitations in Co II Single-Molecule Magnets by Inelastic Neutron Scattering: Probing Magnetic Excitations in Co II Single-Molecule Magnets by Inelastic Neutron Scattering
journal, December 2018
- Stavretis, Shelby E.; Cheng, Yongqiang; Daemen, Luke L.
- European Journal of Inorganic Chemistry, Vol. 2019, Issue 8
Upgrade to the MAPS neutron time-of-flight chopper spectrometer
journal, March 2019
- Ewings, R. A.; Stewart, J. R.; Perring, T. G.
- Review of Scientific Instruments, Vol. 90, Issue 3
Neutron Instruments for Research in Coordination Chemistry: Neutron Instruments for Research in Coordination Chemistry
journal, January 2019
- Xue, Zi-Ling; Ramirez-Cuesta, Anibal J.; Brown, Craig M.
- European Journal of Inorganic Chemistry, Vol. 2019, Issue 8
Affecting an Ultra‐High Work Function of Silver
journal, January 2020
- He, Jin; Armstrong, Jeff; Cong, Peixi
- Angewandte Chemie International Edition, Vol. 59, Issue 12
Affecting an Ultra‐High Work Function of Silver
journal, January 2020
- He, Jin; Armstrong, Jeff; Cong, Peixi
- Angewandte Chemie, Vol. 132, Issue 12
Probing Magnetic Excitations in Co II Single-Molecule Magnets by Inelastic Neutron Scattering
journal, February 2019
- Stavretis, Shelby E.; Cheng, Yongqiang; Daemen, Luke L.
- European Journal of Inorganic Chemistry, Vol. 2019, Issue 8