Computational studies into urea formation in the interstellar medium

Abstract

ABSTRACT Formation routes, involving closed shell, radical, and charged species for urea, have been studied using computational methods to probe their feasibility in the interstellar medium. All reactions involving closed shell species were found to have prohibitive barriers. The radical–radical reaction possesses a barrier of only 4 kJ mol−1, which could be surmountable. A charged species based route was also investigated. A barrier of only 8 kJ mol−1 was found in that case, when a partial water ice shell was included.