Photodissociation of S2 (X3ςg                             -, a1Δg, and b1ςg                             +) in the 320-205 nm Region

Z. F. Sun; Z. Farooq; D. H. Parker; P. J. J. Martin; C. M. Western

doi:10.1021/acs.jpca.9b05350

Photodissociation of S₂ (X³ς_g ^-, a¹Δ_g, and b¹ς_g ⁺) in the 320-205 nm Region

Z. F. Sun, Z. Farooq, D. H. Parker, P. J. J. Martin, C. M. Western

Research output: Contribution to journal › Article (Academic Journal) › peer-review

173 Downloads (Pure)

Abstract

Photodissociation of vibrationally and electronically excited sulfur dimer molecules (S₂) has been studied in a combined experimental and computational quantum chemistry study in order to characterize bound-continuum transitions. Ab initio quantum chemistry calculations are carried out to predict the potential energy curves, spin-orbit coupling, transition moments, and bound-continuum spectra of S₂ for comparison with the experimental data. The experiment uses velocity map imaging to measure S-atom production following S₂ photoexcitation in the ultraviolet region (320-205 nm). A pulsed electric discharge in H₂S produces ground-state S₂ X³ς_g ^-(v = 0-15) as well as electronically excited singlet sulfur and b¹ς_g ⁺(v = 0, 1), and evidence is presented for the production and photodissociation of S₂ a¹Δ_g. In a previous paper, we reported threshold photodissociation of S₂X³ς_g ^-(v = 0) in the 282-266 nm region. In the present study, S(³P_J) fine structure branching and angular distributions for photodissociation of S₂ (X³ς_g ^-(v = 0), a¹Δ_g and b¹ς_g ⁺) via the B″³II_u, B³ς_u ^- and 1¹II_u excited states are reported. In addition, photodissociation of the X³ς_g ^-(v = 0) state of S₂ to the second dissociation limit producing S(³P₂) + S(¹D) is characterized. The present results on S₂ photodynamics are compared to those of the well-studied electronically isovalent O₂ molecule.

Original language	English
Pages (from-to)	6886-6896
Number of pages	11
Journal	Journal of Physical Chemistry A
Volume	123
Issue number	32
Early online date	19 Jul 2019
DOIs	https://doi.org/10.1021/acs.jpca.9b05350
Publication status	Published - 15 Aug 2019

Access to Document

10.1021/acs.jpca.9b05350

Full-text PDF (final published version)
This is the final published version of the article (version of record). It first appeared online via American Chemical Society at https://pubs.acs.org/doi/10.1021/acs.jpca.9b05350 . Please refer to any applicable terms of use of the publisher.
Final published version, 2.44 MBLicence: CC BY-NC-ND

Link to publication in Scopus

Embargoed Document

Full-text PDF (author accepted manuscript)
Accepted author manuscript, 1.89 MB
Request copy

Fingerprint Dive into the research topics of 'Photodissociation of S2 (X3ςg -, a1Δg, and b1ςg +) in the 320-205 nm Region'. Together they form a unique fingerprint.

Cite this

@article{acfdf0a806044ed8a3a48c488096ce82,

title = "Photodissociation of S2 (X3ςg -, a1Δg, and b1ςg +) in the 320-205 nm Region",

abstract = "Photodissociation of vibrationally and electronically excited sulfur dimer molecules (S2) has been studied in a combined experimental and computational quantum chemistry study in order to characterize bound-continuum transitions. Ab initio quantum chemistry calculations are carried out to predict the potential energy curves, spin-orbit coupling, transition moments, and bound-continuum spectra of S2 for comparison with the experimental data. The experiment uses velocity map imaging to measure S-atom production following S2 photoexcitation in the ultraviolet region (320-205 nm). A pulsed electric discharge in H2S produces ground-state S2 X3ςg -(v = 0-15) as well as electronically excited singlet sulfur and b1ςg +(v = 0, 1), and evidence is presented for the production and photodissociation of S2 a1Δg. In a previous paper, we reported threshold photodissociation of S2X3ςg -(v = 0) in the 282-266 nm region. In the present study, S(3PJ) fine structure branching and angular distributions for photodissociation of S2 (X3ςg -(v = 0), a1Δg and b1ςg +) via the B″3IIu, B3ςu - and 11IIu excited states are reported. In addition, photodissociation of the X3ςg -(v = 0) state of S2 to the second dissociation limit producing S(3P2) + S(1D) is characterized. The present results on S2 photodynamics are compared to those of the well-studied electronically isovalent O2 molecule.",

author = "Sun, {Z. F.} and Z. Farooq and Parker, {D. H.} and Martin, {P. J. J.} and Western, {C. M.}",

year = "2019",

month = aug,

day = "15",

doi = "10.1021/acs.jpca.9b05350",

language = "English",

volume = "123",

pages = "6886--6896",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "32",

}

Photodissociation of S₂ (X³ς_g ^-, a¹Δ_g, and b¹ς_g ⁺) in the 320-205 nm Region. / Sun, Z. F.; Farooq, Z.; Parker, D. H.; Martin, P. J. J.; Western, C. M.

In: Journal of Physical Chemistry A, Vol. 123, No. 32, 15.08.2019, p. 6886-6896.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - Photodissociation of S2 (X3ςg -, a1Δg, and b1ςg +) in the 320-205 nm Region

AU - Sun, Z. F.

AU - Farooq, Z.

AU - Parker, D. H.

AU - Martin, P. J. J.

AU - Western, C. M.

PY - 2019/8/15

Y1 - 2019/8/15

N2 - Photodissociation of vibrationally and electronically excited sulfur dimer molecules (S2) has been studied in a combined experimental and computational quantum chemistry study in order to characterize bound-continuum transitions. Ab initio quantum chemistry calculations are carried out to predict the potential energy curves, spin-orbit coupling, transition moments, and bound-continuum spectra of S2 for comparison with the experimental data. The experiment uses velocity map imaging to measure S-atom production following S2 photoexcitation in the ultraviolet region (320-205 nm). A pulsed electric discharge in H2S produces ground-state S2 X3ςg -(v = 0-15) as well as electronically excited singlet sulfur and b1ςg +(v = 0, 1), and evidence is presented for the production and photodissociation of S2 a1Δg. In a previous paper, we reported threshold photodissociation of S2X3ςg -(v = 0) in the 282-266 nm region. In the present study, S(3PJ) fine structure branching and angular distributions for photodissociation of S2 (X3ςg -(v = 0), a1Δg and b1ςg +) via the B″3IIu, B3ςu - and 11IIu excited states are reported. In addition, photodissociation of the X3ςg -(v = 0) state of S2 to the second dissociation limit producing S(3P2) + S(1D) is characterized. The present results on S2 photodynamics are compared to those of the well-studied electronically isovalent O2 molecule.

AB - Photodissociation of vibrationally and electronically excited sulfur dimer molecules (S2) has been studied in a combined experimental and computational quantum chemistry study in order to characterize bound-continuum transitions. Ab initio quantum chemistry calculations are carried out to predict the potential energy curves, spin-orbit coupling, transition moments, and bound-continuum spectra of S2 for comparison with the experimental data. The experiment uses velocity map imaging to measure S-atom production following S2 photoexcitation in the ultraviolet region (320-205 nm). A pulsed electric discharge in H2S produces ground-state S2 X3ςg -(v = 0-15) as well as electronically excited singlet sulfur and b1ςg +(v = 0, 1), and evidence is presented for the production and photodissociation of S2 a1Δg. In a previous paper, we reported threshold photodissociation of S2X3ςg -(v = 0) in the 282-266 nm region. In the present study, S(3PJ) fine structure branching and angular distributions for photodissociation of S2 (X3ςg -(v = 0), a1Δg and b1ςg +) via the B″3IIu, B3ςu - and 11IIu excited states are reported. In addition, photodissociation of the X3ςg -(v = 0) state of S2 to the second dissociation limit producing S(3P2) + S(1D) is characterized. The present results on S2 photodynamics are compared to those of the well-studied electronically isovalent O2 molecule.

UR - http://www.scopus.com/inward/record.url?scp=85070671204&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.9b05350

DO - 10.1021/acs.jpca.9b05350

M3 - Article (Academic Journal)

C2 - 31322887

VL - 123

SP - 6886

EP - 6896

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 32

ER -