Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study
This study leverages two-pulse femtosecond stimulated Raman spectroscopy (2FSRS) to characterize molecular systems with avoided crossings (ACs) and conical intersections (CIs) in their low-lying excited electronic states. By simulating 2FSRS spectra of microscopically inspired ACs and CIs models, we...
| Main Authors: | , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/178499 |
| _version_ | 1826113888536494080 |
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| author | Qiang, Yijia Sun, Kewei Palacino-González, Elisa Shen, Kaijun Rao, B. Jayachander Gelin, Maxim F. Zhao, Yang |
| author2 | School of Materials Science and Engineering |
| author_facet | School of Materials Science and Engineering Qiang, Yijia Sun, Kewei Palacino-González, Elisa Shen, Kaijun Rao, B. Jayachander Gelin, Maxim F. Zhao, Yang |
| author_sort | Qiang, Yijia |
| collection | NTU |
| description | This study leverages two-pulse femtosecond stimulated Raman spectroscopy (2FSRS) to characterize molecular systems with avoided crossings (ACs) and conical intersections (CIs) in their low-lying excited electronic states. By simulating 2FSRS spectra of microscopically inspired ACs and CIs models, we demonstrate that 2FSRS not only delivers valuable information on the molecular parameters characterizing ACs and CIs but also helps distinguish between these two systems. |
| first_indexed | 2024-10-01T03:30:35Z |
| format | Journal Article |
| id | ntu-10356/178499 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T03:30:35Z |
| publishDate | 2024 |
| record_format | dspace |
| spelling | ntu-10356/1784992024-06-28T15:44:25Z Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study Qiang, Yijia Sun, Kewei Palacino-González, Elisa Shen, Kaijun Rao, B. Jayachander Gelin, Maxim F. Zhao, Yang School of Materials Science and Engineering Engineering Raman spectrometry Respiratory gas humidifier This study leverages two-pulse femtosecond stimulated Raman spectroscopy (2FSRS) to characterize molecular systems with avoided crossings (ACs) and conical intersections (CIs) in their low-lying excited electronic states. By simulating 2FSRS spectra of microscopically inspired ACs and CIs models, we demonstrate that 2FSRS not only delivers valuable information on the molecular parameters characterizing ACs and CIs but also helps distinguish between these two systems. Ministry of Education (MOE) Published version The support from the Singapore Ministry of Education Academic Research Fund Tier 1 (Grant No. RG87/20) is gratefully acknowledged. 2024-06-24T07:19:29Z 2024-06-24T07:19:29Z 2024 Journal Article Qiang, Y., Sun, K., Palacino-González, E., Shen, K., Rao, B. J., Gelin, M. F. & Zhao, Y. (2024). Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study. Journal of Chemical Physics, 160(5), 054107-. https://dx.doi.org/10.1063/5.0186583 0021-9606 https://hdl.handle.net/10356/178499 10.1063/5.0186583 38341700 2-s2.0-85184999114 5 160 054107 en RG87/20 Journal of Chemical Physics © 2024 Author(s). Published under an exclusive license by AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the copyright holder. The Version of Record is available online at http://doi.org/10.1063/5.0186583 application/pdf |
| spellingShingle | Engineering Raman spectrometry Respiratory gas humidifier Qiang, Yijia Sun, Kewei Palacino-González, Elisa Shen, Kaijun Rao, B. Jayachander Gelin, Maxim F. Zhao, Yang Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study |
| title | Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study |
| title_full | Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study |
| title_fullStr | Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study |
| title_full_unstemmed | Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study |
| title_short | Probing avoided crossings and conical intersections by two-pulse femtosecond stimulated Raman spectroscopy: theoretical study |
| title_sort | probing avoided crossings and conical intersections by two pulse femtosecond stimulated raman spectroscopy theoretical study |
| topic | Engineering Raman spectrometry Respiratory gas humidifier |
| url | https://hdl.handle.net/10356/178499 |
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