title: cis-[Pt(NH3)2(L)]2+/+ (L = Cl, H2O, NH3) binding to purines and CO: does pi-back-donation play a role?
abstract: The ability of cis-[Pt(NH(3))(2)(L)](2+/+), a molecular fragment of the anticancer drug cisplatin, to bind to purines and CO by pi-back-donation from Pt to the ligand was examined computationally. Optimized geometries and computed vibrational frequencies suggest that cis-[Pt(NH(3))(2)(L)](2+/+) (L = Cl, H(2)O, NH(3)) is a poor pi-donor and that pi-back-donation does not play an important role for Pt(II)-ligand interactions in general.
authors.affiliation: Department of Chemistry and School of Informatics, Indiana University, Bloomington, Indiana 47405, USA. mbaik@indiana.edu
authors.forename: Mu-Hyun
authors.initials: MH
authors.lastname: Baik
authors.forename: Richard A
authors.initials: RA
authors.lastname: Friesner
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Lippard
mesh_terms: D002248:Carbon Monoxide / Q000737:chemistry* / Q000378:metabolism; D002945:Cisplatin / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D015394:Molecular Structure; D009944:Organoplatinum Compounds / Q000737:chemistry* / Q000378:metabolism; D011687:Purines / Q000737:chemistry* / Q000378:metabolism
chemical_list: D009944:Organoplatinum Compounds; D011687:Purines; D002248:Carbon Monoxide; D002945:Cisplatin