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Title: 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 C 70 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 CO 2 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:
ORCiD logo [1]; ORCiD logo [2];  [2]
  1. Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical & Engineering Materials Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1422531
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: 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. doi: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. doi:10.1016/j.saa.2017.09.057.
@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}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 21, 2018
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