Affiliation:
1. Department of Chemistry, University of Johannesburg, P. O. Box 524, Auckland Park, Johannesburg 2006, South Africa
Abstract
Phosphorus mononitride (PN) shows some interesting chemistry due to its low dissociation energy (compared to N2) and small dipole moment (zero dipole moment for N2). In this work, a reaction between HSi ([Formula: see text]) and PN ([Formula: see text]) has been studied using various computational methods. Analysis of the doublet surface of the [Formula: see text] reaction indicates that the reaction is exothermic in nature leading to the formation of various products. In view of the barrierless association of the reactants and exothermic nature for the product formation, it is suggested that species like HPNSi, cyclic-SiN(H)P (these two most stable isomers have phosphazo linkage) and HSiNP (third most stable isomer has phosphdiazo linkage) can possibly be detected in the interstellar medium. In view of the potential applications of phosphazo compounds in amide synthesis and pervasive nature of amide linkages in the nature, possible interstellar prebiotic applications can be advocated for these compounds.
Publisher
World Scientific Pub Co Pte Lt
Subject
Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications