Pt II as a proton shuttle during C-H bond activation in the Shilov process

Pietro Vidossich, Gregori Ujaque, Agustí Lledós

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)

Abstract

The C-H activation in Shilov's system on cis- and trans-PtCl 2(H 2O)(CH 4) was investigated by ab initio molecular dynamics in water. Simulations revealed an easy C-H bond cleavage forming a transient 5-coordinated species Pt(H)Cl 2(H 2O)(CH 3) that spontaneously releases a proton to the bulk solution. © 2012 The Royal Society of Chemistry.
Original languageEnglish
Pages (from-to)1979-1981
JournalChemical Communications
Volume48
Issue number14
DOIs
Publication statusPublished - 14 Feb 2012

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