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THEORETICAL DETERMINATION OF ELECTRON IMPACT IONIZATION CROSS SECTIONS FOR ACETONITRILE (CH3CN) USING THE COMPLEX SPHERICAL POTENTIAL – IONIZATION CONTRIBUTION (CSP-IC METHOD)

AUTHORS:
H. K. Desai
Mentor
Affiliation
Department of Physics, Vanita Vishram Women’s University, Surat, Gujarat - 395001
CC BY 4.0 License:
This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract

Acetonitrile (CH3CN) is a fundamental nitrile compound with immense relevance in astrochemistry, particularly concerning the atmospheric composition of Titan and star-forming regions in the interstellar medium [16, 17]. This paper presents a detailed analytical investigation into the total electron impact ionization cross-section (Qion) for CH3CN. In the present study, the absolute ionization cross-sections are determined rigorously using the Complex Scattering Potential-ionization contribution (CSP-ic) methodology [3, 20]. The calculated Qion values are systematically compared with available experimental data, empirical bond-contribution models, and semi-classical theoretical frameworks such as the Deutsch-Märk (DM) and Binary-Encounter-Bethe (BEB) formalisms [1, 2, 5, 6]. The synthesized data underscores the high efficacy and accuracy of the CSP-ic optical potential model in predicting complex scattering phenomena and isolating the ionization flux across a wide energy spectrum.

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Desai, H. K. (2026). Theoretical Determination of Electron Impact Ionization Cross Sections for Acetonitrile (CH3CN) using the Complex Spherical Potential – Ionization Contribution (CSP-Ic Method). International Journal of Science, Strategic Management and Technology, 02(04). https://doi.org/10.55041/ijsmt.v2i4.557

Desai, H.. "Theoretical Determination of Electron Impact Ionization Cross Sections for Acetonitrile (CH3CN) using the Complex Spherical Potential – Ionization Contribution (CSP-Ic Method)." International Journal of Science, Strategic Management and Technology, vol. 02, no. 04, 2026, pp. . doi:https://doi.org/10.55041/ijsmt.v2i4.557.

Desai, H.. "Theoretical Determination of Electron Impact Ionization Cross Sections for Acetonitrile (CH3CN) using the Complex Spherical Potential – Ionization Contribution (CSP-Ic Method)." International Journal of Science, Strategic Management and Technology 02, no. 04 (2026). https://doi.org/https://doi.org/10.55041/ijsmt.v2i4.557.

References
1.Bart, M. (2003). Electron Impact Ionization: Measurements of Absolute Cross-Sections and Cross-Beam Studies. Doctoral thesis, University of Canterbury.

2.Bart, M., Harland, P. W., Hudson, J. E., & Vallance, C. (2001). Absolute total electron impact ionization cross-sections for perfluorinated hydrocarbons and small halocarbons. Physical Chemistry Chemical Physics, 3, 800-806.

3.Kaur, J., & Antony, B. (2015). Cross section data for ionization of important cyanides. Journal of Electron Spectroscopy and Related Phenomena, 205, 51-56.

4.Uploaded Experimental Cross Section Data Repository: Qion of electron CH3CN scattering (Comparative Reference Graph).

5.Kim, Y.-K., & Rudd, M. E. (1994). Binary-encounter-dipole model for electron-impact ionization. Physical Review A, 50, 3954.

6.Deutsch, H., & Märk, T. D. (1987). Calculation of absolute electron impact ionization cross-section functions for molecules. International Journal of Mass Spectrometry and Ion Processes, 79, R1.

7.Rapp, D., & Englander-Golden, P. (1965). Total Electron-Impact Ionization Cross Sections of Molecules. Journal of Chemical Physics, 43, 1464.

8.Otvos, J. W., & Stevenson, D. P. (1956). Cross-sections of molecules for ionization by electrons. Journal of the American Chemical Society, 78, 546.

9.Schram, B. L., Adamczyk, B., & de Heer, F. J. (1966). Partial ionization cross sections of inert gases and hydrocarbons. Journal of Chemical Physics, 44, 4640.

10.Staszewska, G., Schwenke, D. W., & Truhlar, D. G. (1984). Complex optical potential model for electron-molecule scattering. Journal of Chemical Physics, 81, 335.
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This article has undergone plagiarism screening and double-blind peer review. Editorial policies have been followed. Authors retain copyright under CC BY-NC 4.0 license. The research complies with ethical standards and institutional guidelines.
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