title: Electron scattering from gas phase cis-diamminedichloroplatinum(II): quantum analysis of resonance dynamics.
abstract: We present scattering calculations of electron collisions with the platinum-containing compound cis-diamminedichloroplatinum (CDDP), commonly known as cisplatin, between 0.5 eV and 6 eV, and the corresponding isolated Pt atom from 0.1 eV to 10 eV. We find evidence of resonances in e(-)-CDDP scattering, using an ab initio description of the target. We computed scattering matrix elements from equations incorporating exchange and polarization effects through the use of the static-exchange plus density functional correlation potential. Additionally, we made use of a purely local adiabatic model potential that allows Siegert eigenstates to be calculated, thereby allowing inspection of the possible resonant scattering wave functions. The total cross section for electron scattering from (5d(10)) (1)S Pt displays a large magnitude, monotonic decay from the initial collision energies, with no apparent resonance scattering features in any scattering symmetry. By contrast, the e(-)-CDDP scattering cross section shows a small feature near 3.8 eV, which results from a narrow, well localized resonance of b2 symmetry. These findings are then related to the possible electron-mediated mechanism of the action of CDDP on DNA replication as suggested by recent experiments.
authors.affiliation: Department of Chemistry, Texas A&M University, P.O. Box 30012, College Station, Texas 77842-3012, USA.
authors.forename: Ralph
authors.initials: R
authors.lastname: Carey
authors.forename: Robert R
authors.initials: RR
authors.lastname: Lucchese
authors.forename: F A
authors.initials: FA
authors.lastname: Gianturco
mesh_terms: D002945:Cisplatin / Q000737:chemistry*; D004583:Electrons; D005740:Gases / Q000737:chemistry; D011789:Quantum Theory
chemical_list: D005740:Gases; D002945:Cisplatin