Resonance Electron Capture by Cysteine and N-Acetylcysteine Molecules

Russian Journal of Physical Chemistry A - Processes of the formation of negative ions during the resonance electron capture by molecules of cysteine and its N-substituted derivative are studied....     

Rearrangement and predissociation processes in negative molecular ions of nitrobenzenes

The reactions of resonant electron capture by the molecules of benzene nitroderivatives has been studied in the gas phase. Some fragment negative ions were found to be unstable with respect to electron autodetachment. This circumstance has been used for the determination of their structure. In particular, it has been established that the low measured appearance energy of neutral component of [M? H]^? ion beam is a result of isomerization of nitrobenzenes' molecular ion, leading to the 2‐nitrosophenol structure with the subsequent formation of the phenoxide anion in the autodetaching state. The effective yield curves of some types of fragment ions demonstrate fine vibrational structures, testifying the predissociation mechanism of ion formation. For all detected ions, the absolute cross sections of formation have been measured. Copyright © 2009 John Wiley & Sons, Ltd.     

Low-energy resonance states upon electron capture by five-membered heterocycles and cyclopentadiene

New resonance states were discovered for the negative molecular ions of thiophene and selenophene and a series of resonances was found for various heterocyclic compounds in the region 3.0–3.6 eV. The low-energy resonances at 1.65–2.3 eV are formed by a resonance mechanism of a form of the molecular ground state, while an electronically excited Feschbach resonance is responsible for the series of resonance states at 3.0–3.6 eV. The mother state for the latter resonance states is the first triplet state of these molecules. The first triplet state of selenophene is at 3.6±0.15 eV.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 4, pp. 925–927, April, 1990.     

The energetics of resonant dissociative electron attachment to molecules of five-membered heterocyclic compounds

The thermochemistry of resonant dissociative electron attachment processes for furan, thiophene, selenophene, and pyrrole molecules has been studied. The structures of the dissociation products originating from negative molecular ions at energies ranging from 2 to 6 eV have been established using the measured appearance energies of fragment ions and the known thermodynamic functions of radical and molecular dissociation products. Heats of formation and electron affinities for some radicals and molecules have been assessed by calculations and estimated experimentally. It has been concluded that the majority of the fragment ions are formedvia rearrangement processes in molecular or fragment ions.

     

Specific features of resonance electron capture mass spectra of ecdysteroid molecules

Specificity of the dissociative attachment of low-energy electrons to ecdysteroid molecules (viz., 20-hydroxyecdysone 2,3:20,22-diacetonide, 20-hydroxyecdysone 20,22-acetonide, and poststerone 2-acetate) was found, which is manifested as the formation of long-lived pseudo-molecular negative ions that appeared due to the elimination of the H₂ and H₂O molecules. These rearrangements are resulted from the formation of the system of conjugated double bonds in the ecdysteroid skeleton, stabilizing the lowest vacant molecular orbital.     

Identification of the type and parameters of fastening from the natural frequencies of a fastened rod

A rod can be fastened in a number of ways. If the rod ends are inaccessible to visual observation, the question arises of whether it is possible to determine the type and parameters of their fastening from sound vibrations induced by an impact on the rod. In this connection, a possible statement of the problem is as follows: to identify the type and parameters of fastening on both ends of a homogeneous rod from its natural frequencies. In other words, it is necessary to determine the type of fastening of each of the ends of a homogeneous rod (clamping, free support, elastic support, elastic fixing, floating fixing, or free end) and its parameters (the stiffness coefficients of springs for elastic fixing). The duality and stability of the solution to this problem is demonstrated. A method of solving this problem with the use of 9 natural frequencies is proposed. The results of numerical experiments on reconstructing various types of fastening from 9 natural frequencies are presented.