Proton-Induced Charge Transfer on Imidazole and 2- Aminoimidazole. Role of the Substituent and Influence of Stepwise Hydration.

Clicks: 400
ID: 80724
2020
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This article has not been analysed, so there is no overall score — reader engagement is measured and shown alongside.
AI Quality Assessment
Not analyzed
Readership in this journal
Steady

Ranked #9 of 27 articles by views in the journal of physical chemistry a

Most read Least read

Bar heights use a square-root scale.

Mint this article as an NFT
Not yet minted

Create a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.

5 SUSD one-off · no wallet required
Sign in to mint
Abstract
The behaviour of potential prebiotic species in space is of main concern in the chemistry at the origin of life. Their reactivity or stability in spatial conditions, under strong UV radiations or ion bombardments remains an open question and needs wide investigations. As protons are by far the most abundant ions in space, we focus presently on proton-induced collisions on imid-azole and 2-aminoimidazole evidenced as important prebiotic RNA intermediates. Uncon-strained full optimization of the structures was performed with B3LYP/cc-pVTZ model chem-istry. The calculations were performed in a wide collision energy range in order to model vari-ous astrophysical environments, from eV in the interstellar medium, up to keV for solar winds or supernovae shock-wave protons. Such study drives for the first time a theoretical insight on the influence of the amino substituent on the proton-induced charge transfer. We evaluated besides the role of icy grain environments through a cluster approach modelling the effect of a stepwise microhydration on the process. Comparisons with oxygenated and sulfurated ana-logues address further qualitative trends on the respective stability or reactivity of such heter-ocycles which may be of tremendous interest in prebiotic chemistry. Charge transfer appears effectively quite efficient for imidazole compounds and their sulfurated analogue compared to the oxygenated heterocycle.
Reference Key
kerkeni2020protoninducedthe Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Kerkeni, Boutheïna;Bacchus-Montabonel, Marie-Christine;
Journal the journal of physical chemistry a
Year 2020
DOI
10.1021/acs.jpca.9b10602
URL
Keywords
reproductive health sexual health primary care reproductive intentions pregnancy intentions

Citations

No citations found. To add a citation, contact the admin at info@scimatic.org

Comments

No comments yet. Be the first to comment on this article.