Resonant electron capture by polycyclic aromatic hydrocarbon molecules: Effects of aza-substitution.

Resonant electron capture by aza and diaza derivatives of phenanthrene (7,8-benzoquinoline and 1,10-phenanthroline) and anthracene (acridine and phenazine) at incident free electron energies (Ee) in the range of 0-15 eV was studied. All compounds except 7,8-benzoquinoline form long-lived molecular ions (M-) at thermal electron energies (Ee ∼ 0 eV). Acridine and phenazine also form such ions at epithermal electron energies up to Ee = 1.

Resonant electron capture by 5-Br-2'-deoxyuridine.

The results of the study of resonant electron capture by molecules of 5-Br-2'-deoxyuridine (BrdUrd) over the range of electron energies from near zero to 14 eV are described. In the thermal energy range, long-lived molecular negative ions, unstable with respect to autoneutralization and dehalogenation, have been registered. Examination of the kinetics of these decay processes led us to the conclusion that the most probable structure for molecular negative ions is that with an extended C-Br bond, which was predicted earlier using quantum-chemical calculations.

A unified statistical RRKM approach to the fragmentation and autoneutralization of metastable molecular negative ions of hexaazatrinaphthylenes.

For the compounds promising for use as n-type semiconductors in organic electronics and energy storage devices, hexaazatrinaphthylene (HATNA) and its derivative hexamethoxy-hexaazatrinaphthylene (HMHATA), the monomolecular processes occurring under the exposure of molecules to low-energy (0-15 eV) free electrons were studied by means of resonant electron capture negative ion mass spectrometry. Resonant electron attachment results in the formation of eminently long-lived molecular negative ions (MNIs) in an abnormally wide range of incident electron energy (E) from 0 to 5-7 eV. For both compounds, this observation serves as an indication of the strong electron-accepting properties and high stability of MNIs against electron autodetachment.

Fragmentation and slow autoneutralization of isolated negative molecular ions of phthalocyanine and tetraphenylporphyrin.

Macrocyclic tetrapyrrolic compounds, such as naturally occurring or artificial porphyrins and phthalocyanines, have unique and highly attractive properties for applications in medicine and technology. The interaction of free-base phthalocyanine (HPc) and tetraphenylporphyrin (HTPP) molecules with low-energy (0-15 eV) electrons was studied in vacuo by means of negative ion resonant electron capture mass spectrometry. Close similarities in formation and decay of negative ions of these compounds were revealed.

Negative ions, molecular electron affinity and orbital structure of cata-condensed polycyclic aromatic hydrocarbons.

Rationale: Polycyclic aromatic hydrocarbons are molecules of ecological, astrochemical significance that find practical applications in organic electronics, photonics and the chemical synthesis of novel materials. The utility of these molecules often implies the occurrence of their ionized forms. Studies in the gas phase of elementary processes of energy-controlled interaction of molecules with low-energy electrons shed light on the mechanisms of transient negative ion formation and evolution.