Electron Collisions With Ammonia And Formamide In The Low- And Intermediate-energy Ranges

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)We report an investigation on electron collisions with two nitrogen-containing compounds, namely ammonia (NH3) and formamide (NH2CHO). For ammonia, both theoretical and experimental differential, integral, and momentum-transfer cross sections, as well as calculated grand-total and total absorption cross sections, are reported in the 50-500 eV incident energy range. Calculated results of various cross sections are also reported for energies below 50 eV. Experimentally, angular distributions of the scattered electrons were measured using a crossed electron beam-molecular beam geometry and then converted to absolute differential cross sections using the relative flow technique. Absolute integral and momentum-transfer cross sections for elastic e - ammonia scattering were also derived from the measured differential cross sections. For formamide, only theoretical cross sections are presented in the 1-500 eV incident energy range. A single-center-expansion technique combined with the method of Padé was used in our calculations. For both targets, our calculated cross sections are compared with the present measured data and with the theoretical and experimental data available in the literature and show generally good agreement. Moreover, for formamide, two shape resonances located at 3.5 eV and 15 eV which correspond to the continuum 2A'' and 2A' scattering symmetries, respectively, are identified. The former can be associated to the 2B1 shape resonance in formaldehyde located at around 2.5 eV, whereas the latter can be related to the 2E resonance in ammonia at about 10 eV. Such correspondence is very interesting and so supports the investigation on electron interaction with small building blocks, instead of with larger biomolecules.906CAPES; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; FAPESP; Coordenação de Aperfeiçoamento de Pessoal de Nível SuperiorFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Boudaïffa, B., Cloutier, P., Hunting, D., Huels, M.A., Sanche, L., (2000) Science, 287, p. 1658. , SCIEAS 0036-8075Huels, M.A., Boudaïffa, B., Cloutier, P., Hunting, D., Sanche, L., (2003) J. Am. Chem. Soc., 125, p. 4467. , JACSAT 0002-7863Sugohara, R.T., Homem, M.G.P., Sanches, I.P., De Moura, A.F., Lee, M.T., Iga, I., (2011) Phys. Rev. A, 83, p. 032708. , PLRAAN 1050-2947Lee, M.-T., De Souza, G.L.C., Machado, L.E., Brescansin, L.M., Dos Santos, A.S., Lucchese, R.R., Sugohara, R.T., Iga, I., (2012) J. Chem. Phys., 136, p. 114311. , JCPSA6 0021-9606De Souza, G.L.C., Lee, M.-T., Sanches, I.P., Rawat, P., Iga, I., Dos Santos, A.S., Machado, L.E., Lucchese, R.R., (2010) Phys. Rev. A, 82, p. 012709. , PLRAAN 1050-2947Sugohara, R.T., Homem, M.G.P., Iga, I., De Souza, G.L.C., Machado, L.E., Ferraz, J.R., Dos Santos, A.S., Lee, M.-T., (2013) Phys. Rev. A, 88, p. 022709. , PLRAAN 1050-2947Sato, T., Shibata, F., Goto, T., (1986) Chem. Phys., 108, p. 147. , CMPHC2 0301-0104Brüche, E., (1927) Ann. Phys. (Leipzig), 83, p. 1065. , ANPYA2 0003-3804Sueoka, O., Mori, S., (1984) J. Phys. Soc. Jpn., 53, p. 2491. , JUPSAU 0031-9015Szmytkowski, C., Maciag, K., Karwarsz, G., Filipović, D., (1989) J. Phys. B, 22, p. 525. , JPAPEH 0953-4075Zecca, A., Karwasz, G.P., Brusa, R.S., (1992) Phys. Rev. A, 45, p. 2777. , PLRAAN 1050-2947García, G., Manero, F., (1996) J. Phys. B, 29, p. 4017. , JPAPEH 0953-4075Ariyasinghe, W.M., Wijeratne, T., Palihawadana, P., (2004) Nucl. Instrum. Meth. B, 217, p. 389Jones, N.C., Field, D., Lunt, S.L., Ziesel, J.P., (2008) Phys. Rev. A, 78, p. 042714. , PLRAAN 1050-2947Rao, M.V.V.S., Srivastava, S.K., (1992) J. Phys. B, 25, p. 2175. , JPAPEH 0953-4075Hayashi, H., (1981), Institute of Plasma Physics, Nagoya University, Japan, Report No. IPPJ-AM-19, (unpublished)Pack, J.I., Voshall, R.E., Phelps, A.V., (1962) Phys. Rev., 127, p. 2084. , PHRVAO 0031-899XAltshuler, S., (1957) Phys. Rev., 107, p. 114. , PHRVAO 0031-899XBen Arfa, M., Tronc, M., (1988) J. Chim. Phys., 85, p. 889Furlan, M., Hubin-Franskin, M.-J., Delwiche, J., Collin, J.E., (1990) J. Chem. Phys., 92, p. 213. , JCPSA6 0021-9606Alle, D.T., Gulley, R.J., Buckman, S.J., Brunger, M.J., (1992) J. Phys. B, 25, p. 1533. , JPAPEH 0953-4075Harshbarger, W.R., Skerbele, A., Lassettre, E.N., (1971) J. Chem. Phys., 54, p. 3784. , JCPSA6 0021-9606Gulley, R.J., Brunger, M.J., Buckman, S.J., (1992) J. Phys. B: At. Mol. Opt. Phys., 25, p. 2433. , JPAPEH 0953-4075Gianturco, F.A., Jain, A., (1986) Phys. Rep., 143, p. 347. , PRPLCM 0370-1573Pritchard, H.P., Lima, M.A.P., McKoy, V., (1989) Phys. Rev. A, 39, p. 2392. , 0556-2791Gianturco, F., (1991) J. Phys. B: At. Mol. Opt. Phys., 24, p. 4627. , JPAPEH 0953-4075Rescigno, T.N., Lengsfield, B.H., McCurdy, C.W., Parker, S.D., (1992) Phys. Rev. A, 45, p. 7800. , PLRAAN 1050-2947Ribeiro, E.M.S., Machado, L.E., Lee, M.-T., Brescansin, L.M., (2001) Comput. Phys. Commun., 136, p. 117. , CPHCBZ 0010-4655Munjal, H., Baluja, K., (2007) J. Phys. B, 40, p. 1713. , JPAPEH 0953-4075Jain, A.K., Tripathi, A.N., Jain, A., (1989) Phys. Rev. A, 39, p. 1537. , 0556-2791Joshipura, K.N., Vinodkumar, M., Patel, U.M., (2001) J. Phys. B, 34, p. 509. , JPAPEH 0953-4075Yuan, J., Zhang, Z., (1992) Phys. Rev. A, 45, p. 4565. , PLRAAN 1050-2947Limbachiya, C., Vinodkumar, M., Mason, N., (2011) Phys. Rev. A, 83, p. 042708. , PLRAAN 1050-2947Maljković, J.B., Blanco, F., García, G., Milosavljević, A.R., (2012) Nucl. Instrum. Methods, Phys. Res. B, 279, p. 124. , NIMBEU 0168-583XHollis, J.M., Lovas, F.J., Remijian, A., Jewell, P.R., Ilushin, V., Kleiner, I., (2006) Astrophys. J. Lett., 643, p. L25. , AJLEEY 0004-637XBettega, M.H.F., (2010) Phys. Rev. A, 81, p. 062717. , PLRAAN 1050-2947Wang, Y.-F., Tian, S.X., (2012) Phys. Rev. A, 85, p. 012706. , PLRAAN 1050-2947Gupta, D., Naghma, R., Antony, B., (2014) Mol. Phys., 112, p. 1201. , MOPHAM 0026-8976Srivastava, S.K., Chutjian, A., Trajmar, S., (1975) J. Chem. Phys., 63, p. 2659. , JCPSA6 0021-9606Iga, I., Lee, M.T., Homem, M.G.P., Machado, L.E., Brescansin, L.M., (2000) Phys. Rev. A, 61, p. 022708. , PLRAAN 1050-2947Rawat, P., Iga, I., Lee, M.T., Brescansin, L.M., Homem, M.G.P., Machado, L.E., (2003) Phys. Rev. A, 68, p. 052711. , PLRAAN 1050-2947Iga, I., Sanches, I.P., Srivastava, S.K., Mangan, M., (2001) Int. J. Mass Spectrom., 208, p. 159. , IMSPF8 1387-3806Homem, M.G.P., Iga, I., Sugohara, R.T., Sanches, I.P., Lee, M.T., (2011) Rev. Sci. Instrum., 82, p. 013109Jansen, R.H.J., De Heer, F.J., Luyken, H.J., Van Wingerden, B., Blaauw, H.J., (1976) J. Phys. B, 9, p. 185. , JPAMA4 0022-3700Dubois, R.D., Rudd, M.E., (1976) J. Phys. B, 9, p. 2657. , JPAMA4 0022-3700Rawat, P., Homem, M.G.P., Sugohara, R.T., Sanches, I.P., Iga, I., De Souza, G.L.C., Dos Santos, A.S., Lee, M.-T., (2010) J. Phys. B, 43, p. 225202. , JPAPEH 0953-4075Ferraz, J.R., Dos Santos, A.S., De Souza, G.L.C., Zanelato, A.I., Alves, T.R.M., Lee, M.-T., Brescansin, L.M., Machado, L.E., (2013) Phys. Rev. A, 87, p. 032717. , PLRAAN 1050-2947Gianturco, F.A., Lucchese, R.R., Sanna, N., (1995) J. Chem. Phys., 102, p. 5743. , JCPSA6 0021-9606Edmonds, A.R., (1960) Angular Momentum and Quantum Mechanics, , (Princeton University Press, Princeton, NJ)Padial, N.T., Norcross, D.W., (1984) Phys. Rev. A, 29, p. 1742. , 0556-2791Lee, M.-T., Iga, I., Machado, L.E., Brescansin, L.M., Castro E A, Y., Sanches, I.P., De Souza, G.L.C., (2007) J. Electron Spectrosc. Relat. Phenom., 155, p. 14. , JESRAW 0368-2048Staszewska, G., Schwenke, D.W., Truhlar, D.G., (1984) Phys. Rev. A, 29, p. 3078. , 0556-2791Hara, S., (1967) J. Phys. Soc. Jpn., 22, p. 710. , JUPSAU 0031-9015Frisch, M.J., (2004) Gaussian 03, Revision C. 02, , (Gaussian Inc., Wallingford, CT)http://cccbdb.nist.govBurke, P.G., Chandra, N., Gianturco, F.A., (1972) J. Phys. B, 5, p. 2212. , JPAMA4 0022-3700Machado, L.E., Brescansin, L.M., Iga, I., Lee, M.-T., (2005) Eur. Phys. J. D, 33, p. 193. , EPJDF6 1434-6060Brescansin, L.M., Machado, L.E., Lee, M.-T., Cho, H., Park, Y.S., (2008) J. Phys. B, 41, p. 185201. , JPAPEH 0953-4075Itikawa, Y., (1974) At. Data Nucl. Data Tables, 14, p. 1Kim, Y.-K., Rudd, M.E., (1994) Phys. Rev. A, 50, p. 3954. , PLRAAN 1050-2947Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Koseki, S., Montgomery, J.A., (1993) J. Comput. Chem., 14, p. 1347. , JCCHDD 0192-8651Khakoo, M.A., Blumer, J., Keane, K., Campbell, C., Silva, H., Lopes, M.C.A., Winstead, C., Bettega, M.H.F., (2008) Phys. Rev. A, 77, p. 042705. , PLRAAN 1050-2947Goumans, T.P.M., Gianturco, F.A., Sebastianelli, F., Baccarelli, I., Rivail, J.L., (2009) J. Chem. Theory Comput., 5, p. 217. , 1549-9618Gallup, G.A., (2013) J. Chem. Phys., 139, p. 104308. , 0021-960