Low-Temperature Thermal Formation of the Cyclic Methylphosphonic Acid Trimer [c-(CH3 PO2 )3 ]

Chemphyschem. 2023 Feb 14;24(4):e202200660. doi: 10.1002/cphc.202200660. Epub 2022 Nov 16.

Abstract

We report the formation of the cyclic methylphosphonic acid trimer [c-(CH3 PO2 )3 ] through condensation reactions during thermal processing of low-temperature methylphosphonic acid samples exploiting photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS) along with electronic structure calculations. Cyclic methylphosphonic acid trimers are formed in the solid state and detected together with its protonated species in the gas phase upon single photon ionization. Our studies provide an understanding of the preparation of phosphorus-bearing potentially prebiotic molecules and the fundamental knowledge of low-temperature phosphorus chemistry in extraterrestrial environments.

Keywords: ab initio calculations; condensation reaction; cyclic methylphosphonic acid trimer; extraterrestrial phosphorus; mass spectrometry.