All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission System of respective journal.

Abstract

Transition states for the modeled reactions of tempo with hydrogen atom

Author(s): Andrzej Kaim, El�������¿bieta Megiel

Theoretical calculations at theDFT/UB3-LYP/6-311+G(3df,2p)//(U)AM1 level revealed three transition states for the reaction of TEMPO with H atom leading to combination of reagents, abstraction ofH atomfrommethyl group of TEMPO and abstraction of oxygen atomfromTEMPO.


Share this