A Photoionization Reflectron Time-of-Flight Mass Spectrometric Study on the Detection of Ethynamine (HCCNH2 ) and 2H-Azirine (c-H2 CCHN)

Chemphyschem. 2021 May 17;22(10):985-994. doi: 10.1002/cphc.202100064. Epub 2021 Apr 19.

Abstract

Ices of acetylene (C2 H2 ) and ammonia (NH3 ) were irradiated with energetic electrons to simulate interstellar ices processed by galactic cosmic rays in order to investigate the formation of C2 H3 N isomers. Supported by quantum chemical calculations, experiments detected product molecules as they sublime from the ices using photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS). Isotopically-labeled ices confirmed the C2 H3 N assignments while photon energies of 8.81 eV, 9.80 eV, and 10.49 eV were utilized to discriminate isomers based on their known ionization energies. Results indicate the formation of ethynamine (HCCNH2 ) and 2H-azirine (c-H2 CCHN) in the irradiated C2 H2 :NH3 ices, and the energetics of their formation mechanisms are discussed. These findings suggest that these two isomers can form in interstellar ices and, upon sublimation during the hot core phase, could be detected using radio astronomy.

Keywords: IR spectroscopy; complex organic molecules; ionization potentials; mass spectrometry; nonequilibrium processes.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.