title: Specific formation of negative ions from leucine and isoleucine molecules.
abstract: Dissociative electron attachment (DEA) to gas phase leucine (Leu) and isoleucine (Ile) molecules was studied using experimental and quantum-chemical methods. The relative partial cross sections for DEA have been measured using crossed electron/molecular beams technique. Supporting ab initio calculations of the structure, energies of neutral molecules, fragments, and negative ions have been carried out at G3MP2 and B3LYP levels in order to interpret the experimental data. Leu and Ile exhibit several common features. The negative ionic fragments from both molecules are formed in the electron energy range from 0 to approximately 14 eV via three resonances (1.2, 5.5, and 8 eV). The relative partial cross sections for DEA Leu and Ile are very similar. The dominant negative ions formed were closed shell negative ions (M-H)(-) (m/z=130) formed preferentially via low electron energy resonance of 1.23 eV. Additional negative ions with m/z=115, 114, 113, 112, 84, 82, 74, 45, 26, and 17 have been detected.
authors.affiliation: Department of Experimental Physics, Comenius University, 842 48 Bratislava, Slovakia. papp@fmph.uniba.sk
authors.forename: Peter
authors.initials: P
authors.lastname: Papp
authors.forename: Pavel
authors.initials: P
authors.lastname: Shchukin
authors.forename: Stefan
authors.initials: S
authors.lastname: Matejcík
mesh_terms: D007477:Ions / Q000737:chemistry; D007532:Isoleucine / Q000737:chemistry*; D007930:Leucine / Q000737:chemistry*; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D011789:Quantum Theory
chemical_list: D007477:Ions; D007532:Isoleucine; D007930:Leucine