Engineering topics

Kraikin, V. A.

Publications and source records attributed to Kraikin, V. A..

3 records

DOE OSTI2019

The Unoccupied Electronic States of the Ultrathin Diphenylphthalide Films on the Surface of the Highly Oriented Pyrolytic Graphite

The results of diagnostics of the atomic composition of a diphenylphthalide (DPP) film thermally precipitated in vacuum by the of X-ray photoelectric spectroscopy (XPS) method are presented. The results of examination of the unoccupied electronic states of the ultrathin DPP films with the thickness up to 10 nm on the surface of the highly oriented pyrolytic graphite (HOPG) by the total current spectroscopy (TCS) method in the energy range from 5 to 20 eV above E{sub F} are presented. In this range, the main maxima in the total current spectra are identified. The analysis of the TCS results with consideration of the theoretical calculation results has shown that the low-energy maxima observed at the energies from 6 to 7.5 eV are induced predominately by π* electron orbitals of DPP films. The values of the energy E{sub vac} in relation to E{sub F}, i.e., of the electron work function in the DPP films at the film thickness of 5–10 nm, are found experimentally at a level of 4.3 ± 0.1 eV. The negative charge transfer from an organic film to the substrate corresponds to the formation of the HOPG/DPP boundary potential barrier during the thermal deposition of the DPP film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Generation and Fragmentation of Phthalide Derivative Negative Ions

Molecules of diphenylphthalide and 3,3-diphenylphthalide-4′,4′-dicarbonic acid have been studied using the method of dissociative electron capture negative ion mass spectrometry. The mean lifetimes of negative molecular ions relative to the electron detachment have been measured. The electron affinity has been estimated in the Arrhenius approximation and calculated by the DFT B3LYP/6-31G+(d) method.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

Electron attachment to the phthalide molecule

Phthalide, the simplest chain of conductive polymer thin film, was investigated by means of Electron Transmission Spectroscopy, Negative Ion Mass Spectrometry, and density functional theory quantum chemistry. It has been found that formation of gas-phase long-lived molecular anions of phthalide around 0.7 eV takes place through cleavage of a C–O bond of the pentacyclic ring of the parent molecular anion to give a vibrationally excited (electronically more stable) open-ring molecular anion. The energy of the transition state for ring opening of the parent negative ion is calculated to be 0.65 eV above the neutral ground state of the molecule. The energy (2.64 eV) evaluated for the corresponding transition state in the neutral molecule is much higher, so that the process of electron detachment from the anion must lead to a neutral molecule with its initial pentacyclic structure. The average lifetime of the molecular negative ions formed at an electron energy of 0.75 eV and 80 °C is measured to be about 100 μs. The known switching effect of thin phthalide films could stem from the presence of a similar open/closed transition state also in the polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗