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Electron scattering from 2-methyl–1,3-butadiene,C5H8, molecules: Role of methylation

Abstract

We report cross-section results from experimental and theoretical investigations into electron collisions with the 2-methyl–1,3-butadiene [C5H8] molecule. The current results are compared with our previous results for the 1,3-butadiene [C4H6] molecule, a structural homologue of 2-methyl–1,3-butadiene, to investigate how the methylation (the substitution of hydrogen atom by a methyl group) affects the shape and/or magnitude of the total cross sections (TCSs). Both experimental TCS energy dependencies have certain features in common: the Ramsauer–Townsend-like minimum located within 1.4–1.6 eV; the resonant maximum centered at 3.4 eV for the 2-methyl–1,3-butadiene molecule and at 3.2 eV for 1,3-butadiene; a weak shoulder in the vicinity of 7 eV; and the pronounced broad enhancement peaking around 8.5 eV for 2-methyl–1,3-butadiene and near 9.5 eV for 1,3-butadiene. The magnitude of the TCS for 2-methyl–1,3-butadiene appears to be higher than that for 1,3-butadiene over the whole investigated energy range. Closer analysis of data shows that the TCS for 2-methyl–1,3-butadiene can be reasonably reproduced by the sum of TCSs for 1,3-butadiene and half of the TCS for the ethane [C2H6] molecule—that stays for the TCS of the methyl unit [CH3]. That result can be extended to homologous series of methyl-substituted allenes, ethylenes, and acetylenes.

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Details

Category:
Articles
Type:
artykuł w czasopiśmie wyróżnionym w JCR
Published in:
PHYSICAL REVIEW A no. 94, edition 4, pages 1 - 9,
ISSN: 2469-9926
Language:
English
Publication year:
2016
Bibliographic description:
Szmytkowski C., Stefanowska S., Zawadzki M., Ptasińska-Denga E., Możejko P.: Electron scattering from 2-methyl–1,3-butadiene,C5H8, molecules: Role of methylation// PHYSICAL REVIEW A. -Vol. 94, iss. 4 (2016), s.1-9
DOI:
Digital Object Identifier (open in new tab) 10.1103/physreva.94.042706
Verified by:
Gdańsk University of Technology

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