Possible interstellar formation of phosphorus analogue of hydrazoic acid: A computational study on the reaction between HN and PN

Priya Bhasi, Zanele P. Nhlabatsi, Sanyasi Sitha

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

Using computational calculations we have shown the reaction between the NH and NP. We have analysed both the singlet and triplet potential energy surfaces for the reaction and found that in both the surfaces, the reaction is exothermic in nature. Based on this, we suggest that the species like HNNP, HNPN and HPNN (Phosphorous analogues of the Hydrazoic acid) can possibly be detected in the interstellar medium. We hope these molecules may be able to act as precursors for many phosphorus containing prebiotic molecules. We have also found that many isomers have the signature NN linkage and suggest that they can be viewed as potential candidates as reservoir for the N2 in interstellar medium. Also, we have shown how unlike the N2 which has very large dissociation energy and zero dipole moment; its analogue NP shows some interesting chemistry owing to its comparatively low dissociation energy and small dipole moment.

Original languageEnglish
Pages (from-to)129-137
Number of pages9
JournalComputational and Theoretical Chemistry
Volume1078
DOIs
Publication statusPublished - 15 Feb 2016

Keywords

  • HPNN
  • Hydrazoic acid
  • ISM
  • Interstellar
  • NH
  • PN

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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