Spectroscopy of ClS2 Isomers: Implications for Sulfur–Chlorine Chemistry
Chlorine–sulfur chemistry plays a significant role in the atmospheric processes of Venus, yet many aspects remain unclear, despite decades of study. This work presents a theoretical investigation into the photochemistry of ClSS and SClS isomers using high-level ab initio methods. ClSS is predicted t...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2025-01-01
|
| Series: | The Astrophysical Journal |
| Subjects: | |
| Online Access: | https://doi.org/10.3847/1538-4357/aded85 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | Chlorine–sulfur chemistry plays a significant role in the atmospheric processes of Venus, yet many aspects remain unclear, despite decades of study. This work presents a theoretical investigation into the photochemistry of ClSS and SClS isomers using high-level ab initio methods. ClSS is predicted to be the most stable isomer, exhibiting two significant absorption peaks at 384 and 243 nm. The 243 nm absorption may lead to photodissociation (yielding S, ClS, or S _2 ) or fluorescence back to the ground state, while absorption at 384 nm produces Cl and S _2 . In contrast, SClS is predicted to be photochemically unstable. A comprehensive set of spectroscopic constants for both isomers is provided, to support future experimental detections and astronomical observations. Although atmospheric models of Venus suggest ClS _2 abundances are likely too low, the calculated spectrum of ClSS shows significant overlap with the 320–400 nm range of Venus’ enigmatic near-UV absorber. This study establishes essential spectroscopic benchmarks for ClS _2 isomers, advancing our understanding of sulfur–chlorine photochemical networks in Venus and related environments. |
|---|---|
| ISSN: | 1538-4357 |