On the Electron Impact Integral Cross-Sections for Butanol and Pentanol Isomers

• Published in: Atoms Vol. 9; no. 3; p. 43
• Main Authors: Uddin, Nafees, Modak, Paresh, Antony, Bobby
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 01.09.2021
• Subjects: alcohols; Butanol; Chemical reactions; Electron impact; electron scattering; Energy; integral cross sections; isomeric effect; Isomers; Knowledge management; Momentum transfer; Nuclear cross sections; pentanol
• ISSN: 2218-2004; 2218-2004
• DOI: 10.3390/atoms9030043

The need for a reliable and comprehensive database of cross-sections for many atomic and molecular species is immense due to its key role in R&D domains such as plasma modelling, bio-chemical processes, medicine and many other natural and technological environments. Elastic, momentum transfer and total cross-sections of butanol and pentanol isomers by the impact of 6–5000 eV electrons are presented in this work. The calculations were performed by employing the spherical complex optical potential formalism along with single-centre expansion and group additivity rule. The investigations into the presence of isomeric variations reveal that they are more pronounced at low and intermediate energies. Elastic, total cross-sections (with the exception of n-pentanol) and momentum transfer cross-sections for all pentanol isomers are reported here for the first time, to the best of our knowledge. Our momentum transfer cross-sections for butanol isomers are in very good agreement with the experimental and theoretical values available, and in reasonable consensus for other cross-sections.