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Self-broadening of absorption and isotropic Raman scattering lines of acetylene: classical impact theory calculations in a wide temperature range
Russian version
Ivanov S. V. 1
1NRC “Kurchatov Institute”, C&P (FSRC «Crystallography and Photonics»), Moscow, Russia
Email: serg.ivanov.home@mail.ru
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A method of self consistent classical trajectory simulation of C2H2-C2H2 collisions has been developed. The explicitly derived equations of motion are used to calculate the vibration-rotational collisional widths of absorption lines and isotropic Raman scattering lines of acetylene within the framework of classical impact theory. Dynamic calculations were performed using the simplest atom-atomic + quadrupole-quadrupole intermolecular C2H2-C2H2 interaction potential. The J-dependences of the self-broadening coefficients of the 12C2H2 lines in the temperature range from 150 to 700 K, as well as the exponents of temperature dependence of broadening, are calculated. A comparison is made with the available experimental data. The contribution of collisions of different types (elastic, inelastic, collision complexes) to the self-broadening of lines, as well as the role of the value of the C2H2 electric quadrupole moment, is analyzed Keywords: acetylene, vibration-rotational lines, collisional broadening, classical impact theory, classical trajectory method, intermolecular interactions, collision complexes.
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