title: Vacuum ultraviolet laser pulsed field ionization-photoelectron study of allyl radical CH2CHCH2.
abstract: The pulsed field ionization-photoelectron (PFI-PE) spectrum of allyl radical CH2CHCH2 (C3H5) in the energy range of 65 200-66 600 cm-1 has been measured using vacuum ultraviolet laser. Based on the simulation of the rotational structures resolved in the vibrational PFI-PE bands of C3H5+(X 1A1;0(0+) and nu7+=1), the ionization energies (IEs) of C3H5(X 2A2;0(0)) to form C3H5+(X 1A1;0(0+) and nu7+=1) are determined to be 65 584.6+/-2.0 cm-1 (8.131 46+/-0.000 25 eV) and 66 020.9+/-2.0 cm-1 (8.185 56+/-0.000 25 eV), respectively, where nu7+(a1) is the symmetric C-C-C bending mode of C3H5+(X 1A1). These values are compared to IE(C3H5) values obtained in previous experimental and high-level ab initio quantum theoretical studies.
authors.affiliation: Department of Chemistry, University of California, Davis, Davis, California 95616.
authors.forename: Xi
authors.initials: X
authors.lastname: Xing
authors.forename: Beth
authors.initials: B
authors.lastname: Reed
authors.forename: Kai-Chung
authors.initials: KC
authors.lastname: Lau
authors.forename: C Y
authors.initials: CY
authors.lastname: Ng
authors.forename: Xu
authors.initials: X
authors.lastname: Zhang
authors.forename: G Barney
authors.initials: GB
authors.lastname: Ellison