The EPR Spectrum of Triplet Mesitylphosphinidene: Reassignment and New Assignment.

Alexander V AkimovYulia S GanushevichDenis V KorchaginVasili A MiluykovEugenii Ya Misochko

Published in: Angewandte Chemie (International ed. in English) (2017)

Low-temperature UV-photolysis of mesitylphosphiranes under highly anaerobic conditions leads to the formation of the triplet mesitylphosphinidene (MesP). The recorded X-band EPR spectrum of triplet MesP and the derived zero-field splitting parameter D=4.116 cm-1 differ significantly from those reported previously for this intermediate. New magnetic parameters of mesitylphosphinidene are discussed along with the results of DFT calculations.

Keyphrases

energy transfer
density functional theory
microbial community
wastewater treatment
molecular dynamics
molecular dynamics simulations
molecularly imprinted
sewage sludge
monte carlo