Insights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)

TitleInsights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)
Publication TypeJournal Article
Year of Publication2021
AuthorsDash, SRanjan, Das, T, Vanka, K
JournalFrontiers in Chemistry
Volume9
Pagination679750
Date PublishedJUN
Type of ArticleArticle
ISSN2296-2646
Keywordsab initio molecular dynamics, ab initio nanoreactor, Density functional theory, origin of molecules in the universe, the earliest lewis acid
AbstractAt the dawn of the Universe, the ions of the light elements produced in the Big Bang nucleosynthesis recombined with each other. In our present study, we have tried to mimic the conditions in the early Universe to show how the recombination process would have led to the formation of the first ever formed diatomic species of the Universe: HeH+, as well as the subsequent processes that would have led to the formation of the simplest triatomic species: H-3 (+). We have also studied some special cases: higher positive charge with fewer number of hydrogen atoms in a dense atmosphere, and the formation of unusual and interesting linear, dicationic He chains beginning from light elements He and H in a positively charged atmosphere. For all the simulations, the ab initio nanoreactor (AINR) dynamics method has been employed.
DOI10.3389/fchem.2021.679750
Type of Journal (Indian or Foreign)Foreign
Impact Factor (IF)5.221
Divison category: 
Physical and Materials Chemistry

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