Carbonyl Sulfide Isotopologues: Ultraviolet Absorption Cross Sections and Stratospheric Photolysis

Sebastian Oscar Danielache; Shinkoh Nanbu; Carsten Eskebjerg; Matthew Stanley Johnson; Naohiro Yoshida

Carbonyl Sulfide Isotopologues: Ultraviolet Absorption Cross Sections and Stratospheric Photolysis

Sebastian Oscar Danielache, Shinkoh Nanbu, Carsten Eskebjerg, Matthew Stanley Johnson, Naohiro Yoshida

Department of Chemistry

20 Citations (Scopus)

Abstract

Ultraviolet absorption cross sections of the main and substituted carbonyl sulfide isotopologues
were calculated using wavepacket dynamics. The calculated absorption cross section of 16O12C32S
is in very good agreement with the accepted experimental spectrum between 190 and 250 nm.
Relative to 16O12C32S, isotopic substitution shows a significant enhancement of the cross section for
16O13C32S, a significant reduction for 18O12C32S and 17O12C32S and almost no change for the sulfur
isotopologues 16O12C33S, 16O12C34S, and 16O12C36S. The analysis of the initial wavepackets shows
that these changes can be explained in terms of the change in the norm of the initial wavepacket.
Implications for our understanding of the stratospheric sulfur cycle are discussed.

Original language	English
Journal	Journal of Chemical Physics
Volume	131
Pages (from-to)	024307-1 - 024307-10
Number of pages	10
ISSN	0021-9606
Publication status	Published - 13 Jul 2009

Cite this

@article{5d9291a005cf11df825d000ea68e967b,

title = "Carbonyl Sulfide Isotopologues: Ultraviolet Absorption Cross Sections and Stratospheric Photolysis",

abstract = "Ultraviolet absorption cross sections of the main and substituted carbonyl sulfide isotopologueswere calculated using wavepacket dynamics. The calculated absorption cross section of 16O12C32Sis in very good agreement with the accepted experimental spectrum between 190 and 250 nm.Relative to 16O12C32S, isotopic substitution shows a significant enhancement of the cross section for16O13C32S, a significant reduction for 18O12C32S and 17O12C32S and almost no change for the sulfurisotopologues 16O12C33S, 16O12C34S, and 16O12C36S. The analysis of the initial wavepackets showsthat these changes can be explained in terms of the change in the norm of the initial wavepacket.Implications for our understanding of the stratospheric sulfur cycle are discussed.",

author = "Danielache, {Sebastian Oscar} and Shinkoh Nanbu and Carsten Eskebjerg and Johnson, {Matthew Stanley} and Naohiro Yoshida",

note = "Paper id:: DOI: 10.1063/1.3156314",

year = "2009",

month = jul,

day = "13",

language = "English",

volume = "131",

pages = "024307--1 -- 024307--10",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

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TY - JOUR

T1 - Carbonyl Sulfide Isotopologues: Ultraviolet Absorption Cross Sections and Stratospheric Photolysis

AU - Danielache, Sebastian Oscar

AU - Nanbu, Shinkoh

AU - Eskebjerg, Carsten

AU - Johnson, Matthew Stanley

AU - Yoshida, Naohiro

N1 - Paper id:: DOI: 10.1063/1.3156314

PY - 2009/7/13

Y1 - 2009/7/13

N2 - Ultraviolet absorption cross sections of the main and substituted carbonyl sulfide isotopologueswere calculated using wavepacket dynamics. The calculated absorption cross section of 16O12C32Sis in very good agreement with the accepted experimental spectrum between 190 and 250 nm.Relative to 16O12C32S, isotopic substitution shows a significant enhancement of the cross section for16O13C32S, a significant reduction for 18O12C32S and 17O12C32S and almost no change for the sulfurisotopologues 16O12C33S, 16O12C34S, and 16O12C36S. The analysis of the initial wavepackets showsthat these changes can be explained in terms of the change in the norm of the initial wavepacket.Implications for our understanding of the stratospheric sulfur cycle are discussed.

AB - Ultraviolet absorption cross sections of the main and substituted carbonyl sulfide isotopologueswere calculated using wavepacket dynamics. The calculated absorption cross section of 16O12C32Sis in very good agreement with the accepted experimental spectrum between 190 and 250 nm.Relative to 16O12C32S, isotopic substitution shows a significant enhancement of the cross section for16O13C32S, a significant reduction for 18O12C32S and 17O12C32S and almost no change for the sulfurisotopologues 16O12C33S, 16O12C34S, and 16O12C36S. The analysis of the initial wavepackets showsthat these changes can be explained in terms of the change in the norm of the initial wavepacket.Implications for our understanding of the stratospheric sulfur cycle are discussed.

M3 - Journal article

SN - 0021-9606

VL - 131

SP - 024307-1 - 024307-10

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

ER -