Theoretical consideration on phosphorus–oxygen bond formation of sterically crowded triarylphosphines and their radical cations
نویسندگان
چکیده
The phosphorus–oxygen bond formation reactions often observed for the sterically crowded triarylphosphines and their radical cations were studied by DFT calculation. oxidations of trimethyl-, triphenyl-, trimesityl-phosphines to corresponding phosphine oxides with peroxides are shown proceed through SN2 like transition states overall influence steric hindrance on activation energy is limited. reaction cation tris(2,4,6-triisopropylphenyl)phosphine oxygen give heterocyclic phosphonium modeled employing (2,6-diisopropylphenyl)diphenylphosphine comparison intermediates suggests highly exergonic nature reaction.
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ژورنال
عنوان ژورنال: Phosphorus Sulfur and Silicon and The Related Elements
سال: 2021
ISSN: ['1042-6507', '1563-5325', '1026-7719']
DOI: https://doi.org/10.1080/10426507.2021.2013218