Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session N00: Poster Session II (11:30am-2:30pm CST)
11:30 AM,
Wednesday, March 6, 2024
Room: Hall BC
Sponsoring
Unit:
APS/SPS
Abstract: N00.00346 : Computational Quantum Quest Towards the Depleted Sulfur in the ISM*
Presenter:
Namrata Rani
(FONDECYT Postdoctoral Fellow, Departamento de Físico Química Universidad de Concepción)
Authors:
Namrata Rani
(FONDECYT Postdoctoral Fellow, Departamento de Físico Química Universidad de Concepción)
Stefan Vogt-Geisse
(Profesor Asistente, Departamento de Físico Química, Universidad de Concepción)
Stefano Bovino
(Associate Professor, Department of Astronomy Universidad de Concepción, Chile)
Collaborations:
QCMM, Astrochemistry Group
Rapid strides in interstellar molecular census brings along a diverse chemical reaction network in the interstellar medium (ISM). More than 40% of the interstellar molecules are complex organic molecules (COM’s). Despite significant advances in studying interstellar chemistry and detection of numerous COM’s, the sulfur chemistry is still less understood particularly in cold dense molecular clouds. Sulfur being one of the six element of biological significance is of prime interest to astochemical and astrobiological community in linking the extraterrestrial origin of life. But, there exists a discrepancy between the amount of sulfur in its elemental and molecular forms and can be explained by the discovery of more sulfur-containing organic molecules, which is consistent with the interstellar oxygen chemistry. The chemical insights into the mechanisms for the creation of sulfur molecules are, however, also quite rare under the astrophysical conditions present in the ISM and are examined in this work. The non-catalytic synthesis of complex organic sulfur compounds in gas-phase and on ice-mantle surfaces is studied using computational quantum-chemical methods. The newly proposed Binding Energy Evaluation Platform (BEEP) is used to obtain full binding energy distributions in ice-surface models to explore the physical and chemical processes. The results put forward new chemical network for sulfur bearing organic molecules in gas-phase and ice-surface feasible under the exotic conditions of ISM, hinting towards the unknown reservoirs of sulfur in the form of organic molecules reflecting towards the depleted sulfur in the cold molecular clouds. The work also led to a database of the binding energy distribution of studied species on the ice surface of interstellar dust, that would be of great interest to astrochemical community.
*Agencia Nacional de Investigación (ANID), Chile for FONDECYT POSTDOCTORAL Fellowship (2023), Project No. 3230221.
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