화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.103, No.48, 10004-10008, 1999
C-H activation at a cationic platinum (II) center: A quantum chemical investigation
The elementary steps of a recently reported methane activation reaction involving a platinum complex with a bidentate nitrogen ligand have been investigated using quantum chemical methods based on density functional theory. Our findings support a reaction mechanism involving formation of a sigma-complex followed by oxidative addition.