The two isomers of the propylperoxy radical 1-C₃H₇O₂ and 2-C₃H₇O₂, together with their individual rotamers, are identified and assigned by threshold photoelectron spectroscopy with the aid of high-level theoretical computations, from which their accurate adiabatic ionization energies are derived. This study paves the way to probing elusive peroxy radicals and their isomers in advanced mass spectrometry analysis of combustion and atmospheric reactions.

中文翻译：

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识别气相中的过氧自由基的异构体：1-C3H7O2与2-C3H7O2

丙氧基过氧化物自由基1-C ₃ H ₇ O ₂和2-C ₃ H ₇ O ₂的两个异构体，以及它们各自的旋转异构体，借助光电子能谱，借助高级理论计算从得出了它们的精确绝热电离能。这项研究为在燃烧和大气反应的高级质谱分析中探索可疑的过氧自由基及其异构体铺平了道路。