title: Toward the spectrum of free polyethylene: linear alkanes studied by carbon 1s photoelectron spectroscopy and theory.
abstract: Trends in carbon 1s ionization energies for the linear alkanes have been investigated using third-generation synchrotron radiation. The study comprises CH(4), C(2)H(6), C(3)H(8), C(4)H(10), C(5)H(12), C(6)H(14), and C(8)H(18). Both inter- and intramolecular shifts in ionization energy have been determined from gas-phase spectra and ab initio calculations. The shifts are decomposed into initial-state and final-state contributions and are shown to relate to the fundamental chemical properties of group electronegativity and polarizability. By extrapolation, we predict C1s spectra of larger n-alkanes, converging toward isolated strands of polyethylene.
authors.affiliation: Department of Chemistry, University of Bergen, N-5007 Bergen, Norway. tor.karlsen@hydro.com
authors.forename: Tor
authors.initials: T
authors.lastname: Karlsen
authors.forename: Knut J
authors.initials: KJ
authors.lastname: Børve
authors.forename: Leif J
authors.initials: LJ
authors.lastname: Saethre
authors.forename: Karoline
authors.initials: K
authors.lastname: Wiesner
authors.forename: Margit
authors.initials: M
authors.lastname: Bässler
authors.forename: Svante
authors.initials: S
authors.lastname: Svensson