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Surface heterogeneity and inhomogeneous broadening of vibrational line profiles

Taj, S; Baird, D; Rosu-Finsen, A; McCoustra, MRS; (2017) Surface heterogeneity and inhomogeneous broadening of vibrational line profiles. Physical Chemistry Chemical Physics , 19 (11) pp. 7990-7995. 10.1039/c6cp07530d. Green open access

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Abstract

The surface heterogeneity of amorphous silica (aSiO2) has been probed using coverage dependent temperature programmed desorption (TPD) of a simple probe molecule, carbon monoxide (CO). The resulting distribution of interaction energies is the foundation from which an environmentally broadened vibrational line profile synthesis has been undertaken. These simulations are compared with measured line profiles recorded at 0.1 cm−1 resolution using reflection–absorption infrared spectroscopy (RAIRS). A comparison of such line profile synthesis for CO on amorphous silica and on porous amorphous solid water (p-ASW) is also reported and conclusions are drawn as to the vibrational relaxation and surface dynamics of the CO molecule on the two surfaces.

Type: Article
Title: Surface heterogeneity and inhomogeneous broadening of vibrational line profiles
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/c6cp07530d
Publisher version: http://dx.doi.org/10.1039/c6cp07530d
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. - With correction, dated 18 September 2019, published under a Creative Commons Attribution 3.0 Unported Licence (http://creativecommons.org/licenses/by/3.0/).
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10054091
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