Khakoo, M. A. and Muse, J. and Silva, H. and Lopes, M. C. A. and Winstead, C. and McKoy, V. and de Oliveira, E. M. and da Costa, R. F. and Varella, M. T. do N. and Bettega, M. H. F. and Lima, M. A. P. (2008) Elastic scattering of slow electrons by n-propanol and n-butanol. Physical Review A, 78 (6). Art. No. 062714. ISSN 1050-2947. doi:10.1103/PhysRevA.78.062714. https://resolver.caltech.edu/CaltechAUTHORS:KHApra08d
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Abstract
We report measured and calculated cross sections for elastic scattering of low-energy electrons by the alcohols n-propanol and n-butanol in the gas phase. The measurements were carried out using the relative-flow method with an aperture source rather than a conventional tube or capillary-array source, eliminating the need to know molecular diameters. The calculations employed two different implementations of the Schwinger multichannel variational method and included polarization effects. The differential cross sections are dominated by strong forward scattering due to the molecules' large electric dipole moments, but near 10 eV, they display structure at intermediate angles that is probably associated with shape resonances, notably a pronounced f-wave scattering pattern. Overall agreement between the measured and calculated results is fair. We compare the cross sections of these larger alcohols to those of methanol and ethanol, as well as to those of alkanes.
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| Additional Information: | © 2008 The American Physical Society. Received 25 September 2008; published 23 December 2008. This work was funded through a collaborative program by the U.S. National Science Foundation under Grants No. PHY 0653452 and No. PHY 0653396 and by the Brazilian Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) under Project No. 490415/2007-5. Work by V.M. and C.W. was also supported by the Chemical Sciences, Geosciences and Biosciences Divsion, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, and made use of the Jet Propulsion Laboratory’s Supercomputing and Visualization Facility. E.M.deO., R.F.daC., M.T.doN.V., M.H.F.B., H.S., M.C.A.L, and M.A.P.L. acknowledge additional support from CNPq and from the Brazilian agencies Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Fundação de Amparo a Pesquisa do Estado de São Paulo (FAPESP), the Paraná state agency Fundação Araucária, FINEP (under Project No. CT–Infra 1), and the Minas Gerais state agency Fundação de Amparo a Pesquisa de Minas Gerais (FAPEMIG). M.H.F.B. further acknowledges computational support from Professor Carlos M. de Carvalho at DF-UFPR. Computational support from Centro Nacional de Processamento de Alto Desempenho (CENAPAD-SP), where part of the calculations in Brazil were performed, is gratefully acknowledged. | ||||||||||||||||||||
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| Subject Keywords: | electric moments, molecular moments, molecule-electron collisions, organic compounds, variational techniques | ||||||||||||||||||||
| Issue or Number: | 6 | ||||||||||||||||||||
| DOI: | 10.1103/PhysRevA.78.062714 | ||||||||||||||||||||
| Record Number: | CaltechAUTHORS:KHApra08d | ||||||||||||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:KHApra08d | ||||||||||||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||||||||||
| ID Code: | 12826 | ||||||||||||||||||||
| Collection: | CaltechAUTHORS | ||||||||||||||||||||
| Deposited By: | Archive Administrator | ||||||||||||||||||||
| Deposited On: | 30 Dec 2008 02:20 | ||||||||||||||||||||
| Last Modified: | 08 Nov 2021 22:33 |
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