Phonon symmetry selection rules for coherent inelastic neutron scattering: application to BCCD

2000 ◽  
Vol 276-278 ◽  
pp. 305-307
Author(s):  
J Hlinka
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Selection Rules

scholarly journals Investigations of Hydrocarbon Species on Solid Catalysts by Inelastic Neutron Scattering

2020 ◽  
Author(s):  
Longfei Lin ◽  
Qingqing Mei ◽  
Xue Han ◽  
Stewart F. Parker ◽  
Sihai Yang
Keyword(s):  
Heterogeneous Catalysis ◽  
Neutron Scattering ◽  
Vibrational Spectroscopy ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Surface Species ◽  
Catalytic Systems ◽  
Selection Rules ◽  
Solid Catalysts ◽  
Wide Range

Abstract The status of surface species on solid catalysts during heterogeneous catalysis is often mysterious. Investigations of these surface species are crucial to deconvolute the reaction network and design more efficient catalysts. Vibrational spectroscopy is a powerful technique to study the interactions between surface species and the catalysts and infrared (IR) and Raman spectroscopies have been widely applied to study reaction mechanisms in heterogeneous catalysis. However, IR/Raman spectra are difficult to model computationally and important vibrational modes may be IR-, Raman- (or both) inactive due to restrictions by optical selection rules. Inelastic neutron scattering (INS) is another form of vibrational spectroscopy and relies on the scattering of neutrons by the atomic nucleus. A consequence of this is that INS is not subject to any optical selection rules and all vibrations are measurable in principle. INS spectroscopy has been used to investigate surface species on catalysts in a wide range of heterogeneous catalytic reactions. In this mini-review, we focus on applications of INS in two important fields: petrochemical reactions and C1 chemistry. We introduce the basic principles of the INS technique, followed by a discussion of its application in investigating two key catalytic systems: (i) the behaviour of hydrocarbons on metal-oxide and zeolite catalysts and (ii) the formation of hydrocarbonaceous species on methane reforming and Fischer–Tropsch catalysts. The power of INS in studying these important catalytic systems is demonstrated.

Phonon Symmetry Selection Rules for Inelastic Neutron Scattering

1998 ◽  
Vol 81 (12) ◽  
pp. 2462-2465 ◽  
Author(s):  
J. M. Perez-Mato ◽  
M. Aroyo ◽  
J. Hlinka ◽  
M. Quilichini ◽  
R. Currat
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Selection Rules

scholarly journals Inelastic neutron scattering spectroscopy of amino acids

2008 ◽  
Vol 22 (4) ◽  
pp. 297-307 ◽  
Author(s):  
Stewart F. Parker ◽  
Parvez I. Haris
Keyword(s):  
Amino Acids ◽  
Neutron Scattering ◽  
Vibrational Spectra ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Low Energy ◽  
Selection Rules ◽  
Straightforward Calculation ◽  
Ready Access ◽  
Inelastic Neutron Scattering Spectroscopy

A combination of infrared, Raman and inelastic neutron scattering (INS) spectroscopies are used to provide complete vibrational spectra of several amino acids and dipeptides. The amino acids studied were glycine, alanine, glutamine, cysteine, methionine and phenylalanine and the dipeptides studied were Gly–Gln and Gly–Ala. The findings of this study have shown how the complementarity of infrared, Raman and INS spectroscopies can be exploited to provide complete vibrational spectra of amino acids and peptides. In particular, the strengths of INS spectroscopy are highlighted: the absence of selection rules, that hydrogenic motions are emphasised, the ready access to the low energy regime (<400 cm−1) and the straightforward calculation of intensities. In the future, it should be possible to apply this approach to the study of larger peptides as well as proteins.

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