Seminarium Wydziału Fizyki Technicznej i Matematyki Stosowanej
SEMINARIUM WYDZIAŁU FIZYKI TECHNICZNEJ I MATEMATYKI STOSOWANEJ
25 października (piątek) o godz. 9.30 w sali 2/07 CNA
dr Niyazi Bulut
Physics Department, Faculty of Science, Firat University, Elazig, Turkey
Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń
wygłosi wykład "Exploration of Metal-Cation Interactions: Ab Initio Study of (Mg+/Al+/Na+) + C6H Astrophysical Interest Complexes”
Abstrakt:
In this study, we conduct a comprehensive investigation into the formation and interactions of metal-containing cations, specifically focusing on MgC6H+, AlC6H+, and NaC6H+ complexes. We explore the potential roles of metals such as sodium (Na), aluminum (Al), and magnesium (Mg) as catalysts in these reactions. Our research involves establishing a robust computational framework utilizing ab initio calculations to analyze the interactions between these metal cations (Mg+, Al+, Na+) with C6H. We hypothesize that these cations are formed through radiative association reactions. To validate this, we calculate the radiative association rate coefficients using a statistical method, followed by detailed chemical modeling to understand the underlying mechanisms. Our findings provide insights into the complex chemistry of metal-cation interactions, which are relevant for various fields, including astrochemistry and materials science.
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