SIMBAD references

2020ApJ...898...13C - Astrophys. J., 898, 13-13 (2020/July-3)

Prebiotic cytosine synthesis from urea in interstellar space: a computational mechanistic study.


Abstract (from CDS):

The potential energy surfaces for the formation of cytosine (Cyt) and a protonated cytosine (CytH+) from reactions of urea with cyanoacetylene (CA), cyanoacetaldehyde (CAA), or their protonated ions, CAAH+ and CAH+ with or without H2O, have been determined from quantum chemical calculation using the CBS-QB3 method. The overall activation energies of the formation of Cyt or CytH+ from urea + CA, urea + CAA and, urea + CAH+ are 127, 211, and 31 kJ mol–1, respectively, which are too high for the thermal reactions to occur in the interstellar medium (ISM). The barrierless reaction pathways have been proposed for the formation of CytH+ from urea + CAH++ H2O and urea + CAAH+. A kinetic analysis shows that the synthesis of Cyt through the formation of CytH+ from urea, CAH+, and H2O would be possible in the ISM.

Abstract Copyright: © 2020. The American Astronomical Society. All rights reserved.

Journal keyword(s): Interstellar medium - Interstellar molecules - Astrochemistry - Astrobiology

Simbad objects: 5

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