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Title: Resonance electron interaction with five-membered heterocyclic compounds: Vibrational Feshbach resonances and hydrogen-atom stripping

Journal Article · · Physical Review A
ORCiD logo [1];  [2];  [3];  [4];  [5]
  1. Russian Academy of Sciences (RAS), Ufa (Russian Federation)
  2. Univ. of Nebraska, Lincoln, NE (United States)
  3. Univ. of Bologna (Italy)
  4. Univ. of Notre Dame, IN (United States)
  5. St. Petersburg State Univ. (Russian Federation)

Low-energy (0–15 eV) resonance electron attachment to a series of five-membered heterocyclic rings (isoxazole, imidazole, pyrazole, pyrrole, 1-methyl-, and 2-methylimidazole) is studied under gas-phase conditions by means of electron transmission spectroscopy and dissociative electron attachment spectroscopy (DEAS). Experimental spectral features are assigned on the basis of Hartree-Fock and density functional theory calculations. Sharp features, with a width of less than 0.1 eV, observed in the electron transmission spectra of imidazole, pyrazole, and pyrrole close to 0.45 eV, i.e., well below the energy of their lowest-lying π* shape resonances detected at 1.90, 1.87, and 2.33 eV, respectively, are associated with formation of negative ion states bound by long-range electron-molecule interactions. Effective range theory calculations which include both dipolar and polarization interactions support this interpretation. In addition to the general observation of cleavage of the N–H bond at incident electron energies close to 2 eV, elimination of as many as three hydrogen atoms from the molecular negative ions is detected at higher energies by DEAS with the only exception of methylated imidazoles. This complex process is associated with ring opening and formation of diatomic hydrogen as one of the neutral fragments, as indicated by the calculations to satisfy the energetic requirements. The present results are of importance for understanding the basic mechanisms of damages caused in living tissues by high-energy radiations.

Research Organization:
University of Notre Dame, IN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FC02-04ER15533
OSTI ID:
1609175
Alternate ID(s):
OSTI ID: 1546478
Journal Information:
Physical Review A, Vol. 100, Issue 1; ISSN 2469-9926
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

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Figures / Tables (13)


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