Surface heterogeneity and inhomogeneous broadening of vibrational line profiles

Skandar Taj; Diane Baird; Alexander Rosu-Finsen; Martin R. S. McCoustra

doi:10.1039/C6CP07530D

Surface heterogeneity and inhomogeneous broadening of vibrational line profiles

Skandar Taj, Diane Baird, Alexander Rosu-Finsen, Martin R. S. McCoustra

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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.

Original language	English
Pages (from-to)	7990-7995
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	19
Issue number	11
Early online date	1 Mar 2017
DOIs	https://doi.org/10.1039/C6CP07530D
Publication status	Published - 21 Mar 2017

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title = "Surface heterogeneity and inhomogeneous broadening of vibrational line profiles",

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.",

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AU - Taj, Skandar

AU - Baird, Diane

AU - Rosu-Finsen, Alexander

AU - McCoustra, Martin R. S.

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PY - 2017/3/21

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N2 - 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.

AB - 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.

U2 - 10.1039/C6CP07530D

DO - 10.1039/C6CP07530D

M3 - Article

SN - 1463-9076

VL - 19

SP - 7990

EP - 7995

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 11

ER -

Surface heterogeneity and inhomogeneous broadening of vibrational line profiles

Abstract

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