Dicarbon formation in collisions of two carbon atoms

Abstract

Radiative association cross sections and rates are computed, using a quantum approach, for the formation of C${}_2$ molecules (dicarbon) during the collision of two ground state C(${}^3$P) atoms. We find that transitions originating in the C${}^1{\Pi }_g$, d${}^3{\Pi }_g$, and 1${}^5{\Pi }_u$ states are the main contributors to the process. The results are compared and contrasted with previous results obtained from a semi-classical approximation. New ab initio potential curves and transition dipole moment functions have been obtained for the present work using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pCV5Z basis sets, substantially increasing the available molecular data on dicarbon. Applications of the current computations to various astrophysical environments and laboratory studies are briefly discussed focusing on these rates.

arXiv commentAccepted ApJ

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• Radiative association of atomic and ionic carbon
• Theoretical studies of carbon isotopic fractionation in reactions of C with C${}_2$: dynamics, kinetics, and isotopologue equilibria