Binding energy distributions of alcohols, thiols, and their precursors on interstellar water ice surfaces
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866911130568359936 |
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| author | Roy, Arghyadeb Das, Ankan Sil, Milan Gorai, Prasanta Furuya, Kenji Nakatani, Naoki Shimonishi, Takashi |
| author_facet | Roy, Arghyadeb Das, Ankan Sil, Milan Gorai, Prasanta Furuya, Kenji Nakatani, Naoki Shimonishi, Takashi |
| contents | Binding energy (BE) is a critical parameter in astrochemical modeling, governing the retention of species on interstellar dust grains and their subsequent chemical evolution. However, conventional models often rely on single-valued BEs, overlooking the intrinsic distribution arising from diverse adsorption sites. In this study, we present BEs for monohydric alcohols, thiols, and their plausible precursors, including aldehydes and thioaldehydes. We incorporate a distribution of BEs to capture the realistic variation in adsorption strengths. The quantum chemical calculations provide a range of BE values rather than a single estimate, ensuring a more precise description of molecular diffusion and surface chemistry. The BE trend of analogous species provides qualitative insight into the dominant reaction pathways and key precursors that drive the formation of larger molecules under interstellar conditions. Oxygen-bearing species generally exhibit higher BEs than their sulfur analogues, primarily due to stronger interactions, further influencing molecular adsorption and reactivity. We implemented BE distributions in astrochemical models, revealing significant effects on predicted abundances and establishing a more accurate framework for future astrochemical modeling. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2509_00431 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Binding energy distributions of alcohols, thiols, and their precursors on interstellar water ice surfaces Roy, Arghyadeb Das, Ankan Sil, Milan Gorai, Prasanta Furuya, Kenji Nakatani, Naoki Shimonishi, Takashi Astrophysics of Galaxies Solar and Stellar Astrophysics Binding energy (BE) is a critical parameter in astrochemical modeling, governing the retention of species on interstellar dust grains and their subsequent chemical evolution. However, conventional models often rely on single-valued BEs, overlooking the intrinsic distribution arising from diverse adsorption sites. In this study, we present BEs for monohydric alcohols, thiols, and their plausible precursors, including aldehydes and thioaldehydes. We incorporate a distribution of BEs to capture the realistic variation in adsorption strengths. The quantum chemical calculations provide a range of BE values rather than a single estimate, ensuring a more precise description of molecular diffusion and surface chemistry. The BE trend of analogous species provides qualitative insight into the dominant reaction pathways and key precursors that drive the formation of larger molecules under interstellar conditions. Oxygen-bearing species generally exhibit higher BEs than their sulfur analogues, primarily due to stronger interactions, further influencing molecular adsorption and reactivity. We implemented BE distributions in astrochemical models, revealing significant effects on predicted abundances and establishing a more accurate framework for future astrochemical modeling. |
| title | Binding energy distributions of alcohols, thiols, and their precursors on interstellar water ice surfaces |
| topic | Astrophysics of Galaxies Solar and Stellar Astrophysics |
| url | https://arxiv.org/abs/2509.00431 |