scholarly journals THE HEROES OF TERAHERTZ SYNCHROTRON SPECTROSCOPY

2021 ◽  
Author(s):  
Thomas Hearne ◽  
Gaël Mouret ◽  
Francis Hindle ◽  
Dominique Mammez ◽  
Marie-Hélène Mammez ◽  
...  
Keyword(s):  
Synchrotron Spectroscopy

Development of polycapillary x-ray optics for synchrotron spectroscopy

2015 ◽  
Author(s):  
Mark A. Popecki ◽  
Daniel Bennis ◽  
Bernhard Adams ◽  
Aileen O'Mahony ◽  
Christopher A. Craven ◽  
...  
Keyword(s):  
Ray Optics ◽  
X Ray ◽  
Synchrotron Spectroscopy

scholarly journals Lipid distribution on ethnic hairs by Fourier transform infrared synchrotron spectroscopy

2021 ◽  
Author(s):  
Clara Barba ◽  
Marc Adria Oliver ◽  
Meritxell Martí ◽  
Martin Kreuzer ◽  
Luisa Coderch
Keyword(s):  
Fourier Transform ◽  
Fourier Transform Infrared ◽  
Lipid Distribution ◽  
Synchrotron Spectroscopy

Identifying Thermal Decomposition Products of Nitrate Ester Explosives Using Gas Chromatography–Vacuum Ultraviolet Spectroscopy: An Experimental and Computational Study

2020 ◽  
Vol 74 (12) ◽  
pp. 1486-1495 ◽  
Author(s):  
Courtney A. Cruse ◽  
Jingzhi Pu ◽  
John V. Goodpaster
Keyword(s):  
Thermal Decomposition ◽  
Gas Chromatography ◽  
Density Functional ◽  
Vacuum Ultraviolet ◽  
Computational Study ◽  
Ultraviolet Spectroscopy ◽  
Decomposition Products ◽  
Nitrate Ester ◽  
Vacuum Ultraviolet Spectroscopy ◽  
Synchrotron Spectroscopy

Analysis of nitrate ester explosives (e.g., nitroglycerine) using gas chromatography–vacuum ultraviolet spectroscopy (GC–VUV) results in their thermal decomposition into nitric oxide, water, carbon monoxide, oxygen, and formaldehyde. These decomposition products exhibit highly structured spectra in the VUV that is not seen in larger molecules. Computational analysis using time-dependent density functional theory (TDDFT) was utilized to investigate the excited states and vibronic transitions of these decomposition products. The experimental and computational results are compared with those in previous literature using synchrotron spectroscopy, electron energy loss spectroscopy (EELS), photoabsorption spectroscopy, and other computational excited state methods. It was determined that a benchtop GC–VUV detector gives comparable results to those previously reported, and TDDFT could predict vibronic spacing and model molecular orbital diagrams.

Synchrotron spectroscopy of molecules at high resolution

1995 ◽  
Vol 73 (2) ◽  
pp. 173-190 ◽  
Author(s):  
J.P Connerade ◽  
M.A Baig ◽  
C.A Mayhew ◽  
J Hormes
Keyword(s):  
High Resolution ◽  
Synchrotron Spectroscopy

scholarly journals In situ XAFS of acid-resilient iridate pyrochlore oxygen evolution electrocatalysts under operating conditions

2020 ◽  
Vol 22 (34) ◽  
pp. 18770-18773
Author(s):  
David L. Burnett ◽  
Enrico Petrucco ◽  
Andrea E. Russell ◽  
Reza J. Kashtiban ◽  
Jonathan D. B Sharman ◽  
...  
Keyword(s):  
Water Splitting ◽  
Oxygen Evolution ◽  
Operating Conditions ◽  
In Situ Xafs ◽  
Synchrotron Spectroscopy

Electrocatalytic water splitting using iridate pyrochlores studied using synchrotron spectroscopy reveals a response from all iridium in the conducting oxide.

Synchrotron spectroscopy of the CSH-bending and CH3-rocking bands of methyl mercaptan

2020 ◽  
Vol 98 (6) ◽  
pp. 519-529
Author(s):  
R.M. Lees ◽  
E.M Reid ◽  
Li-Hong Xu ◽  
B.E. Billinghurst
Keyword(s):  
Ground State ◽  
Vibrational Mode ◽  
Good Representation ◽  
Methyl Mercaptan ◽  
Vibrational Modes ◽  
Oscillatory Structure ◽  
Out Of Plane ◽  
Type Character ◽  
Fourier Transform Spectra ◽  
Synchrotron Spectroscopy

The CSH-bending and CH3-rocking infrared bands of CH3SH have been investigated in Fourier transform spectra recorded at 0.001 cm−1 resolution employing synchrotron radiation at the Canadian Light Source in Saskatoon. The relative band strengths and structures are quite different from those of the CH3OH methanol analogue, with the CSH bend being very weak and both the in-plane and out-of-plane CH3 rocks being strong with intensities greater than the C–S stretch. The CSH bend has parallel a-type character with no detectable b-type component. The out-of-plane CH3 rock is a purely c-type perpendicular band, whereas the in-plane rock is of mixed a/b character. Sub-bands have been assigned for A and E torsional species up to about K = 10 for each vibrational mode, providing upper-state term values from which K-reduced substate origins were determined. For the CSH bend, the origins follow the customary oscillatory torsional pattern as a function of K with a sharply reduced amplitude of 0.362 cm−1 compared to the 0.653 cm−1 for the ground state. The torsional energy curves for the out-of-plane rock are also well-behaved but have inverted ordering of the A–E torsional splitting components and a larger amplitude of 1.33 cm−1. In contrast, the substate origins for the in-plane rock are scattered over a range of about 2 cm−1 without clear oscillatory structure. Several instances of coupling among the lower modes and the ground state via resonances between accidentally near-degenerate levels have been observed and characterized. Ab initio calculations are found to give a good representation of the frequency and relative intensity patterns for the lower vibrational modes.

Fourier transform synchrotron spectroscopy of torsional and CO-stretching bands of CH317OH

2011 ◽  
Vol 268 (1-2) ◽  
pp. 211-220 ◽  
Author(s):  
G. Moruzzi ◽  
R.J. Murphy ◽  
J. Vos ◽  
R.M. Lees ◽  
A. Predoi-Cross ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Synchrotron Spectroscopy

Fourier transform synchrotron spectroscopy of the in-plane methyl-rocking band of CD3OH

2015 ◽  
Vol 315 ◽  
pp. 63-71 ◽  
Author(s):  
R.M. Lees ◽  
Li-Hong Xu ◽  
Song Gao ◽  
B.E. Billinghurst
Keyword(s):  
Fourier Transform ◽  
Synchrotron Spectroscopy
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