Computed Properties of C3H5N3In 2020 ,《Proton-Induced Charge Transfer on Imidazole and 2-Aminoimidazole. Role of the Substituent and Influence of Stepwise Hydration》 appeared in Journal of Physical Chemistry A. The author of the article were Kerkeni, Boutheina; Bacchus-Montabonel, Marie-Christine. The article conveys some information:
The behavior of potential prebiotic species in space is of main concern in the chem. 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 imidazole and 2-aminoimidazole evidenced as important prebiotic RNA intermediates. Unconstrained full optimization of the structures was performed with B3LYP/cc-pVTZ model chem. The calculations were performed in a wide collision energy range in order to model various astrophys. environments, from eV in the interstellar medium, up to keV for solar winds or supernovae shock-wave protons. Such a study provides for the first time a theor. insight on the influence of the amino substituent on the proton-induced charge transfer. We evaluated the role of icy grain environments through a cluster approach modeling the effect of a stepwise microhydration on the process. Comparisons with oxygenated and sulfurated analogs address further qual. trends on the resp. stability or reactivity of such heterocycles which may be of tremendous interest in prebiotic chem. Charge transfer appears to be quite efficient for imidazole compounds and their sulfurated analog compared to the oxygenated heterocycle. The experimental process involved the reaction of 1H-Imidazol-2-amine(cas: 7720-39-0Computed Properties of C3H5N3)
1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Computed Properties of C3H5N3
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem