Publication: Experimental and theoretical cross sections for positron scattering from the pentane isomers.
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2016-02-28
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American Institute of Physics
Abstract
Isomerism is ubiquitous in chemistry, physics, and biology. In atomic and molecular physics, in particular, isomer effects are well known in electron-impact phenomena; however, very little is known for positron collisions. Here we report on a set of experimental and theoretical cross sections for low-energy positron scattering from the three structural isomers of pentane: normal-pentane, isopentane, and neopentane. Total cross sections for positron scattering from normal-pentane and isopentane were measured at the University of Trento at incident energies between 0.1 and 50 eV. Calculations of the total cross sections, integral cross sections for elastic scattering, positronium formation, and electronic excitations plus direct ionization, as well as elastic differential cross sections were computed for all three isomers between 1 and 1000 eV using the independent atom model with screening corrected additivity rule. No definitive evidence of a significant isomer effect in positron scattering from the pentane isomers appears to be present. (C) 2016 AIP Publishing LLC.
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© American Institute of Physics 2016.
The experimental work at the University of Trento was undertaken under a Memorandum of Understanding with the Flinders University node of the former Australian Research Council's Centre of Excellence for Antimatter-Matter Studies. G.G. and F.B. would like to acknowledge the Spanish Ministerio de Economia y Productividad (Project No. FIS2012-31230) and the European Science Foundation (COST Action Grants Nos. MP1002-Nano-IBCT and MC1301-CELINA) for financial support. Finally, L.C. thanks the Japan Society for the Promotion of Science for his fellowship.
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1. Anderson E. K., Boadle R. A., Machacek J. R., Chiari L., Makochekanwa C., Buckman S. J., Brunger M. J., Garcia G., Blanco F., Ingolfsson O., and Sullivan J. P., “Low energy positron interactions with uracil—Total scattering, positronium formation, and differential elastic scattering cross sections,” J. Chem. Phys. 141, 034306 (2014).http://dx.doi.org/10.1063/1.4887072
2. Applequist J., Carl J. R., and Fung K.-K., “An atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities,” J. Am. Chem. Soc. 94, 2952–2960 (1972).http://dx.doi.org/10.1021/ja00764a010
3. Barbiellini B. and Kuriplach J., “Proposed parameter-free model for interpreting the measured positron annihilation spectra of materials using a generalized gradient approximation,” Phys. Rev. Lett. 114, 147401 (2015).http://dx.doi.org/10.1103/PhysRevLett.114.147401
4. Ben-Amotz D. and Herschbach D. R., “Estimation of effective diameters for molecular fluids,” J. Phys. Chem. 94, 1038–1047 (1990).http://dx.doi.org/10.1021/j100366a003
5. Bettega M. H. F., Lopes A. R., Lima M. A. P., and Ferreira L. G., “Electron collisons with cyclobutane,” Braz. J. Phys. 36, 570–575 (2006).http://dx.doi.org/10.1590/S0103-97332006000400018
6. Bettega M. H. F., Lima M. A. P., and Ferreira L. G., “Scattering of low-energy electrons by isomers of C4H10,” J. Phys. B 40, 3015–3023 (2007).http://dx.doi.org/10.1088/0953-4075/40/15/003
7. Bettega M. H. F., Winstead C., and McKoy V., “Low-energy electron scattering from C4H9OH isomers,” Phys. Rev. A 82, 062709 (2010).http://dx.doi.org/10.1103/physreva.82.062709
8. Bettega M. H. F., Sanchez S. d’A., Varella M. T. do N., Lima M. A. P., Chiari L., Zecca A., Trainotti E., and Brunger M. J., “Positron collisions with ethene,” Phys. Rev. A 86, 022709 (2012).http://dx.doi.org/10.1103/PhysRevA.86.022709
9. Blanco F. and García G., “A screening-corrected additivity rule for the calculation of electron scattering from macro-molecules,” J. Phys. B 42, 145203 (2009).http://dx.doi.org/10.1088/0953-4075/42/14/145203
10. Bosque R. and Sales J., “Polarizabilities of solvents from the chemical composition,” J. Chem. Inf. Comput. Sci. 42, 1154–1163 (2002).http://dx.doi.org/10.1021/ci025528x
11. Chiari L., Zecca A., Girardi S., Defant A., Wang F., Ma X. G., Perkins M. V., and Brunger M. J., “Positron scattering from chiral enantiomers,” Phys. Rev. A 85, 052711 (2012a).http://dx.doi.org/10.1103/PhysRevA.85.052711
12. Chiari L., Zecca A., Girardi S., Trainotti E., García G., Blanco F., McEachran R. P., and Brunger M. J., “Positron scattering from O2,” J. Phys. B 45, 215206 (2012b).http://dx.doi.org/10.1088/0953-4075/45/21/215206
13. Chiari L., Anderson E., Tattersall W., Machacek J. R., Palihawadana P., Makochekanwa C., Sullivan J. P., García G., Blanco F., McEachran R. P., Brunger M. J., and Buckman S. J., “Total, elastic and inelastic cross sections for positron and electron collisions with tetrahydrofuran,” J. Chem. Phys. 138, 074301 (2013a).http://dx.doi.org/10.1063/1.4789584
14. Chiari L., Zecca A., García G., Blanco F., and Brunger M. J., “Low-energy positron and electron scattering from nitrogen dioxide,” J. Phys. B 46, 235202 (2013b).http://dx.doi.org/10.1088/0953-4075/46/23/235202
15. Chiari L., Zecca A., Trainotti E., Bettega M. H. F., Sanchez S. d’A., Varella M. T. do N., Lima M. A. P., and Brunger M. J., “Cross sections for positron scattering from ethane,” Phys. Rev. A 87, 032707 (2013c).http://dx.doi.org/10.1103/PhysRevA.87.032707
16. Chiari L., Palihawadana P., Machacek J. R., Makochekanwa C., García G., Blanco F., McEachran R. P., Brunger M. J., Buckman S. J., and Sullivan J. P., “Experimental and theoretical cross sections for positron collisions with 3-hydroxy-tetrahydrofuran,” J. Chem. Phys. 138, 074302 (2013d).http://dx.doi.org/10.1063/1.4790620
17. Chiari L. and Zecca A., “Recent positron-atom cross section measurements and calculations,” Eur. Phys. J. D 68, 297 (2014).http://dx.doi.org/10.1140/epjd/e2014-50436-4
18. Chiari L., Duque H. V., Jones D. B., Thorn P. A., Pettifer Z., da Silva G. B., Limão-Vieira P., Duflot D., Hubin-Franskin M.-J., Delwiche J., Blanco F., García G., Lopes M. C. A., Ratnavelu K., White R. D., and Brunger M. J., “Differential cross sections for intermediate-energy electron scattering from α-tetrahydrofurfuryl alcohol: Excitation of electronic-states,” J. Chem. Phys. 141, 024301 (2014a).http://dx.doi.org/10.1063/1.4885856
19. Chiari L., Zecca A., Blanco F., García G., and Brunger M. J., “Positron scattering from vinyl acetate,” J. Phys. B 47, 175202 (2014b).http://dx.doi.org/10.1088/0953-4075/47/17/175202
20. Chiari L., Zecca A., Blanco F., García G., Perkins M. V., Buckman S. J., and Brunger M. J., “Cross sections for positron impact with 2,2,4-trimethylpentane,” J. Phys. Chem. A 118, 6466–6472 (2014c).http://dx.doi.org/10.1021/jp502632m
21. Chiari L., Zecca A., Blanco F., García G., and Brunger M. J., “Cross sections for positron and electron collisions with an analog of the purine nucleobases: Indole,” Phys. Rev. A 91, 012711 (2015).http://dx.doi.org/10.1103/PhysRevA.91.012711
22. Drummond N. D., López Ríos P., Needs R. J., and Pickard C. J., “Quantum Monte Carlo study of a positron in an electron gas,” Phys. Rev. Lett. 107, 207402 (2011).http://dx.doi.org/10.1103/PhysRevLett.107.207402
23. Fedus K., Navarro C., Hargreaves L. R., Khakoo M. A., Barbosa A. S., and Bettega M. H. F., “Differential elastic electron scattering by pentane,” Phys. Rev. A 91, 042701 (2015).http://dx.doi.org/10.1103/PhysRevA.91.042701
24. Floeder K., Fromme D., Raith W., Schwab A., and Sinapius G., “Total cross section measurements for positron and electron scattering on hydrocarbons between 5 and 400 eV,” J. Phys. B 18, 3347–3359 (1985).http://dx.doi.org/10.1088/0022-3700/18/16/019
25. Floriano M. A., Gee N., and Freeman G. R., “Electron transport in low density alkane gases: Effects of chain length and flexibility,” J. Chem. Phys. 84, 6799–6807 (1986).http://dx.doi.org/10.1063/1.450683
26. Freeman G. R., György I., and Huang S. S.-S., “Electron scattering cross sections of gaseous pentanes and hexanes,” Can. J. Chem. 57, 2626–2628 (1979).http://dx.doi.org/10.1139/v79-425
27. Hamada A. and Sueoka O., “Total cross section measurements for positrons and electrons colliding with molecules: II. HCl,” J. Phys. B 27, 5055–5064 (1994).http://dx.doi.org/10.1088/0953-4075/27/20/019
28. Hoshino M., Horie M., Kato H., Blanco F., García G., Limão-Vieira P., Sullivan J. P., Brunger M. J., and Tanaka H., “Cross sections for elastic scattering of electrons by CF3Cl, CF2Cl2, and CFCl3,” J. Chem. Phys. 138, 214305 (2013).http://dx.doi.org/10.1063/1.4807610
29. Kato H., Anzai K., Ishihara T., Hoshino M., Blanco F., García G., Limão-Vieira P., Brunger M. J., Buckman S. J., and Tanaka H., “A study of electron interactions with silicon tetrafluoride: Elastic scattering and vibrational excitation cross sections,” J. Phys. B 45, 095204 (2012).http://dx.doi.org/10.1088/0953-4075/45/9/095204
30. Kimura M., Sueoka O., Hamada A., and Itikawa Y., in Advances in Chemical Physics, edited byPrigogine I. and Rice S. A. (Wiley, 2000), Vol. 111, pp. 537–622.
31. Kossoski F., Freitas T. C., and Bettega M. H. F., “Resonances in electron collisions with C2H2Cl2 isomers,” J. Phys. B 44, 245201 (2011).http://dx.doi.org/10.1088/0953-4075/44/24/245201
32. Kossoski F. and Bettega M. H. F., “Low-energy electron scattering from the aza-derivatives of pyrrole, furan, and thiophene,” J. Chem. Phys. 138, 234311 (2013).http://dx.doi.org/10.1063/1.4811218
33. Lewis D. F., “The calculation of molar polarizabilities by the CNDO/2 method: Correlation with the hydrophobic parameter, log P,” J. Comput. Chem. 10, 145–151 (1989).http://dx.doi.org/10.1002/jcc.540100202
34. Lopes A. R. and Bettega M. H. F., “Elastic scattering of low-energy electrons by C3H4 isomers,” Phys. Rev. A 67, 032711 (2003).http://dx.doi.org/10.1103/PhysRevA.67.032711
35. Lopes A. R., Lima M. A. P., Ferreira L. G., and Bettega M. H. F., “Low-energy electron collisions with C4H6 isomers,” Phys. Rev. A 69, 014702 (2004a).http://dx.doi.org/10.1103/PhysRevA.69.014702
36. Lopes A. R., Bettega M. H. F., Lima M. A. P., and Ferreira L. G., “Electron collisions with isomers of C4H8 and C4H10,” J. Phys. B 37, 997–1012 (2004b).http://dx.doi.org/10.1088/0953-4075/37/5/004
37. Lopes A. R., Bettega M. H. F., Varella M. T. do N., and Lima M. A. P., “Cross-sections for rotational excitations of C3H4 isomers by electron impact,” Eur. Phys. J. D 37, 385–392 (2006).http://dx.doi.org/10.1140/epjd/e2005-00330-3
38. Makochekanwa C., Kawate H., Sueoka O., Kimura M., Kitajima M., Hoshino M., and Tanaka H., “Total and elastic cross-sections of electron and positron scattering from C3H4 molecules (allene and propyne),” Chem. Phys. Lett. 368, 82–86 (2003).http://dx.doi.org/10.1016/S0009-2614(02)01823-7
39. Makochekanwa C., Kato H., Hoshino M., Cho H., Kimura M., Sueoka O., and Tanaka H., “Probing the isomer, fluorination and bond effects in C3H6, cyclo-C3H6 and C3F6 molecules using electron impact,” Eur. Phys. J. D 35, 249–255 (2005).http://dx.doi.org/10.1140/epjd/e2005-00082-0
40. Makochekanwa C., Hoshino M., Kato H., Sueoka O., Kimura M., and Tanaka H., “Electron and positron scattering cross sections for propene and cyclopropane,” Phys. Rev. A 77, 042717 (2008).http://dx.doi.org/10.1103/PhysRevA.77.042717
41. Maryott A. A. and Buckley F., “Table of dielectric constants and electric dipole moments of substances in the gaseous state,” in NBS Circular 537 (U. S. National Bureau of Standards, Washington, DC, 1953).
42. McEachran R. P., Ryman A. G., Stauffer A. D., and Morgan D. L., “Positron scattering from noble gases,” J. Phys. B 10, 663–677 (1977).http://dx.doi.org/10.1088/0022-3700/10/4/018
43. Mopsik F. I., “Dielectric properties of slightly polar organic liquids as a function of pressure, volume, and temperature,” J. Chem. Phys. 50, 2559–2569 (1969).http://dx.doi.org/10.1063/1.1671415
44. Mott N. F. and Massey H. S. W., The Theory of Atomic Collisions (Oxford University Press, Oxford, 1965).
45. Nakano Y., Hoshino M., Kitajima M., Tanaka H., and Kimura M., “Low-energy electron scattering from C3H4 isomers: Differential cross sections for elastic scattering and vibrational excitation,” Phys. Rev. A 66, 032714 (2002).http://dx.doi.org/10.1103/PhysRevA.66.032714
46. Nishimura H. and Tawara H., “Some aspects of total scattering cross sections of electrons for simple hydrocarbon molecules,” J. Phys. B 24, L363–L366 (1991).http://dx.doi.org/10.1088/0953-4075/24/15/002
47. Nunes F. B., Bettega M. H. F., and Sanchez S. d’A., “Positron collisions with C3H6 isomers,” J. Phys. B 48, 165201 (2015).http://dx.doi.org/10.1088/0953-4075/48/16/165201
48 .Palihawadana P., Boadle R., Chiari L., Anderson E. K., Machacek J. R., Brunger M. J., Buckman S. J., and Sullivan J. P., “Positron scattering from pyrimidine,” Phys. Rev. A 88, 012717 (2013).http://dx.doi.org/10.1103/PhysRevA.88.012717
49. Petrucci R. H., Harwood R. S., and Herring F. G., General Chemistry (Prentice-Hall, 2002).
50. Reid D. D. and Wadehra J. M., “Low-energy differential scattering of electrons and positrons from noble gases,” Phys. Rev. A 50, 4859–4867 (1994).http://dx.doi.org/10.1103/PhysRevA.50.4859
51. Reid D. D. and Wadehra J. M., “A quasifree model for the absorption effects in positron scattering by atoms,” J. Phys. B 29, L127–L133 (1996).http://dx.doi.org/10.1088/0953-4075/29/4/002
52. Reid D. D. and Wadehra J. M., “Erratum: A quasifree model for the absorption effects in positron scattering by atoms,” J. Phys. B 30, 2318 (1997).http://dx.doi.org/10.1088/0953-4075/30/9/028
53. Sanchez S. d’A., Lopes A. R., Bettega M. H. F., Lima M. A. P., and Ferreira L. G., “Polarization effects in the elastic scattering of low-energy electrons by C3H4 isomers,” Phys. Rev. A 71, 062702 (2005).http://dx.doi.org/10.1103/PhysRevA.71.062702
54. Sanz A. G., Fuss M. C., Blanco F., Gorfinkiel J. D., Almeida D., Ferreira da Silva F., Limão-Vieira P., Brunger M. J., and García G., “An investigation into electron scattering from pyrazine at intermediate and high energies,” J. Chem. Phys. 139, 184310 (2013a).http://dx.doi.org/10.1063/1.4829771
55. Sanz A. G., Fuss M. C., Blanco F., Mašín Z., Gorfinkiel J. D., McEachran R. P., Brunger M. J., and García G., “Cross-section calculations for positron scattering from pyrimidine over an energy range from 0.1 to 10000 eV,” Phys. Rev. A 88, 062704 (2013b).http://dx.doi.org/10.1103/physreva.88.062704
56. Sieradzka A., Blanco F., Fuss M. C., Mašín Z., Gorfinkiel J. D., and García G., “Electron scattering from pyridine,” J. Phys. Chem. A 118, 6657–6663 (2014).http://dx.doi.org/10.1021/jp503665a
57. Smith J. G., General Organic and Biological Chemistry (The McGraw-Hill Companies, 2010).
58. Sueoka O., Makochekanwa C., Tanino H., and Kimura M., “Total cross-section measurements for positrons and electrons colliding with alkane molecules: Normal hexane and cyclohexane,” Phys. Rev. A 72, 042705 (2005).http://dx.doi.org/10.1103/PhysRevA.72.042705
59. Szmytkowski C. and Kwitnewski S., “Electron scattering on C3H6 isomers,” J. Phys. B 35, 2613–2623 (2002a).http://dx.doi.org/10.1088/0953-4075/35/11/319
60. Szmytkowski C. and Kwitnewski S., “Total cross sections for electron scattering with some C3 hydrocarbons,” J. Phys. B 35, 3781–3790 (2002b).http://dx.doi.org/10.1088/0953-4075/35/17/313
61. Szmytkowski C. and Kwitnewski S., “Electron scattering from C4H6 and C4F6 molecules,” J. Phys. B 36, 2129–2138 (2003a).http://dx.doi.org/10.1088/0953-4075/36/10/321
62. Szmytkowski C. and Kwitnewski S., “Isomer effects on the total cross section for electron scattering from C4F6 molecules,” J. Phys. B 36, 4865–4873 (2003b).http://dx.doi.org/10.1088/0953-4075/36/24/009
63. Tan X.-M., Sun J.-F., Shi D.-H., and Liu Z.-J., “Total cross-sections for electron scattering of C3H6 isomers: A modified additivity rule approach,” Z. Naturforsch. A 62, 716–720 (2007).http://dx.doi.org/10.1515/zna-2007-1207
64. Tattersall W., Chiari L., Machacek J. R., Anderson E., White R. D., Brunger M. J., Buckman S. J., Garcia G., Blanco F., and Sullivan J. P., “Positron interactions with water–total elastic, total inelastic, and elastic differential cross section measurements,” J. Chem. Phys. 140, 044320 (2014).http://dx.doi.org/10.1063/1.4862685
65. Winstead C., Sun Q., and McKoy V., “Low-energy electron scattering by C3H6 isomers,” J. Chem. Phys. 96, 4246–4251 (1992).http://dx.doi.org/10.1063/1.462817
66. Watanabe K., Nakayama T., and Mottl J., “Ionization potentials of some molecules,” J. Quant. Spectrosc. Radiat. Transfer 2, 369–382 (1962).http://dx.doi.org/10.1016/0022-4073(62)90023-7
67. Zecca A., Chiari L., Sarkar A., Chattopadhyay S., and Brunger M. J., “Procedures for conditioning W- and Ni-moderators for application in positron-scattering measurements,” Nucl. Instrum. Methods Phys. Res., Sect. B 268, 533–536 (2010).http://dx.doi.org/10.1016/j.nimb.2009.11.013
68. Zecca A., Chiari L., Sarkar A., and Brunger M. J., “Positron scattering from the isoelectronic molecules N2, CO and C2H2,” New J. Phys. 13, 115001 (2011a).http://dx.doi.org/10.1088/1367-2630/13/11/115001
69. Zecca A., Chiari L., Trainotti E., Fursa D. V., Bray I., and Brunger M. J., “Experimental determination of the scattering length for positron scattering from krypton,” Eur. Phys. J. D 64, 317–321 (2011b).http://dx.doi.org/10.1140/epjd/e2011-20333-7
70. Zecca A., Chiari L., Trainotti E., Fursa D. V., Bray I., Sarkar A., Chattopadhyay S., Ratnavelu K., and Brunger M. J., “Positron scattering from argon: Total cross sections and the scattering length,” J. Phys. B 45, 015203 (2012a).http://dx.doi.org/10.1088/0953-4075/45/1/015203
71. Zecca A., Chiari L., Trainotti E., and Brunger M. J., “Very low-energy total cross sections and the experimental scattering length for the positron-xenon system,” J. Phys. B 45, 085203 (2012b).http://dx.doi.org/10.1088/0953-4075/45/8/085203
72. Zecca A., Chiari L., Trainotti E., Sarkar A., Sanchez S. d’A., Bettega M. H. F., Varella M. T. do N., Lima M. A. P., and Brunger M. J., “Positron scattering from methane,” Phys. Rev. A 85, 012707 (2012c).http://dx.doi.org/10.1103/PhysRevA.85.012707