Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations
Ethylene and sulfur dioxide molecules were co-deposited on a CsI window at cryogenic temperature, and the photoproducts upon UV irradiation were observed using Fourier transform infrared (FTIR) spectroscopy. The products were found to be UV wavelength-dependent; at shorter wavelengths (λ = 266 nm) o...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-11-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/29/22/5362 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1846152806521634816 |
|---|---|
| author | Taito Takahashi Fumiyuki Ito Jun Miyazaki |
| author_facet | Taito Takahashi Fumiyuki Ito Jun Miyazaki |
| author_sort | Taito Takahashi |
| collection | DOAJ |
| description | Ethylene and sulfur dioxide molecules were co-deposited on a CsI window at cryogenic temperature, and the photoproducts upon UV irradiation were observed using Fourier transform infrared (FTIR) spectroscopy. The products were found to be UV wavelength-dependent; at shorter wavelengths (λ = 266 nm) one strong peak was observed while more than three peaks were identified at longer UV wavelengths (λ = 300 nm). Spectral features changed seamlessly along with UV wavelength. Density functional theory (DFT) calculations were carried out for potential products, and spectral matches between observations and calculations seemed satisfactory, assuming a cyclic molecule (oxathietane 2-oxide) as the main photoproduct at longer UV wavelengths. On the other hand, the spectra of photoproducts at shorter UV wavelengths were reproduced by assuming the decomposition products of an intermediate, from the supplementary experiments using deuterated samples. Plausible photoreaction schemes were presented to account for the observed photoproducts. |
| format | Article |
| id | doaj-art-a96e0ec9dfd04ac1b0088e5c5f4eb7e8 |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-a96e0ec9dfd04ac1b0088e5c5f4eb7e82024-11-26T18:15:41ZengMDPI AGMolecules1420-30492024-11-012922536210.3390/molecules29225362Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory CalculationsTaito Takahashi0Fumiyuki Ito1Jun Miyazaki2Department of Natural Sciences, School of Engineering, Tokyo Denki University, 5 Senju-Asahi-cho, Adachi-ku 120-8551, Tokyo, JapanDepartment of Natural Sciences, School of Engineering, Tokyo Denki University, 5 Senju-Asahi-cho, Adachi-ku 120-8551, Tokyo, JapanDepartment of Natural Sciences, School of Engineering, Tokyo Denki University, 5 Senju-Asahi-cho, Adachi-ku 120-8551, Tokyo, JapanEthylene and sulfur dioxide molecules were co-deposited on a CsI window at cryogenic temperature, and the photoproducts upon UV irradiation were observed using Fourier transform infrared (FTIR) spectroscopy. The products were found to be UV wavelength-dependent; at shorter wavelengths (λ = 266 nm) one strong peak was observed while more than three peaks were identified at longer UV wavelengths (λ = 300 nm). Spectral features changed seamlessly along with UV wavelength. Density functional theory (DFT) calculations were carried out for potential products, and spectral matches between observations and calculations seemed satisfactory, assuming a cyclic molecule (oxathietane 2-oxide) as the main photoproduct at longer UV wavelengths. On the other hand, the spectra of photoproducts at shorter UV wavelengths were reproduced by assuming the decomposition products of an intermediate, from the supplementary experiments using deuterated samples. Plausible photoreaction schemes were presented to account for the observed photoproducts.https://www.mdpi.com/1420-3049/29/22/5362ethylenesulfur dioxidephotolysismatrix isolationinfrared spectroscopydensity functional calculation |
| spellingShingle | Taito Takahashi Fumiyuki Ito Jun Miyazaki Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations Molecules ethylene sulfur dioxide photolysis matrix isolation infrared spectroscopy density functional calculation |
| title | Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations |
| title_full | Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations |
| title_fullStr | Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations |
| title_full_unstemmed | Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations |
| title_short | Photoreactions of the C<sub>2</sub>H<sub>4</sub>–SO<sub>2</sub> Complex in a Low-Temperature Matrix Investigated by Infrared Spectroscopy and Density Functional Theory Calculations |
| title_sort | photoreactions of the c sub 2 sub h sub 4 sub so sub 2 sub complex in a low temperature matrix investigated by infrared spectroscopy and density functional theory calculations |
| topic | ethylene sulfur dioxide photolysis matrix isolation infrared spectroscopy density functional calculation |
| url | https://www.mdpi.com/1420-3049/29/22/5362 |
| work_keys_str_mv | AT taitotakahashi photoreactionsofthecsub2subhsub4subsosub2subcomplexinalowtemperaturematrixinvestigatedbyinfraredspectroscopyanddensityfunctionaltheorycalculations AT fumiyukiito photoreactionsofthecsub2subhsub4subsosub2subcomplexinalowtemperaturematrixinvestigatedbyinfraredspectroscopyanddensityfunctionaltheorycalculations AT junmiyazaki photoreactionsofthecsub2subhsub4subsosub2subcomplexinalowtemperaturematrixinvestigatedbyinfraredspectroscopyanddensityfunctionaltheorycalculations |