[MoO2]2+-Mediated Oxygen Atom Transfer via an Unusual Lewis Acid Mechanism

Marta Castiñeira Reis, Marta Marín-Luna, Carlos Silva López, Olalla Nieto Faza*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

6 Citations (Scopus)


Density functional theory is applied to the study of the oxygen atom transfer reaction from sulfoxide (DMSO) to phosphine (PMe3) catalyzed by the [MoO2]2+ active core. In this work, two fundamentally different roles are explored for this dioxometal complex in the first step of the catalytic cycle: as an oxidizing agent and as a Lewis acid. The latter turns out to be the favored pathway for the oxygen atom transfer. This finding may have more general implications for similar reactions catalyzed by the same [MoO2]2+ core.

Original languageEnglish
Pages (from-to)10570-10575
Number of pages6
JournalInorganic Chemistry
Issue number17
Publication statusPublished - 5-Sep-2017
Externally publishedYes

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