2023
DOI: 10.1021/acsearthspacechem.3c00116
|View full text |Cite
|
Sign up to set email alerts
|

Potential Energy Curves and Ultraviolet Absorption Cross Sections of Sulfur Dimer

Karolis Sarka,
Shinkoh Nanbu

Abstract: New ab initio potential energy curves are used to study the photoabsorption of sulfur dimer, S 2 . The potential curves were developed using the Molpro2015 quantum chemical package at the MRCI-F12+Q/aug-cc-pV(5+d)Z level of theory. We show that the spectroscopic constants derived from these potential curves are in excellent agreement with the previous experimental and theoretical results.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
2

Relationship

0
2

Authors

Journals

citations
Cited by 2 publications
(1 citation statement)
references
References 47 publications
0
1
0
Order By: Relevance
“…While molecular sulfur has been studied extensively by experiments and theory over the last decades, its photoexcitation dynamics are still unclear due to its complexity and to spin–orbit coupling between its manifold of states. Our laboratory studies of S 2 use a discharge system in which diatomic sulfur is produced in the discharge and then allowed to interact with intense laser light.…”
Section: Introductionmentioning
confidence: 99%
“…While molecular sulfur has been studied extensively by experiments and theory over the last decades, its photoexcitation dynamics are still unclear due to its complexity and to spin–orbit coupling between its manifold of states. Our laboratory studies of S 2 use a discharge system in which diatomic sulfur is produced in the discharge and then allowed to interact with intense laser light.…”
Section: Introductionmentioning
confidence: 99%