Potential energy surfaces and dynamics for the reactions between C(3P) and H3+(1A1′)

Ab initio ${\mathrm{MCSCF/6-31G}}^{\mathrm{**}}$ adiabatic potential energy surfaces have been determined for both the ground and first excited states of triplet ${\mathrm{CH}}_{\mathrm{3}}^{\mathrm{+}}.$ Classical trajectory studies of the collision of $\mathrm{C}{(}^3\mathrm{P)}$ with ${\mathrm{H}}_{\mathrm{3}}^{\mathrm{+}}{(}^1{A}_1^{\prime })$ on both surfaces yield an overall rate coefficient of ${\text{2.1×10}}^{\text{−9}}\hspace{0.17em}{\mathrm{cm}}^{\mathrm{3}}{\mathrm{\hspace{0.17em}s}}^{\mathrm{-1}}$ for the formation of ${\mathrm{CH}}^{\mathrm{+}}$ ${(}^3\mathrm{\Pi )+}{\mathrm{H}}_{\mathrm{2}}$ at 10 K, in good agreement with earlier work. A rate coefficient of ${\text{4.9×10}}^{\text{−11}}\hspace{0.17em}{\mathrm{cm}}^{\mathrm{3}}\mathrm{\hspace{0.17em}}{\mathrm{s}}^{\mathrm{-1}}$ at 10 K has been determined for the previously unknown reaction which produces ${\mathrm{CH}}_{\mathrm{2}}^{\mathrm{+}}{(}^2{A}_1\mathrm{)+}\mathrm{H}.$ The properties of the reaction products are examined and the accuracy of the potential energy surfaces is investigated.