On the vacuum ultraviolet radical photolysis CH2(1 3B1)+hν→CH(A 2Δ)+H(1 2S): A combined experimental and theoretical investigation

Abstract

A combined quantum chemical and transition state theory study of the C2H+ 2+CH4 reaction dynamics Study of the SN2 reaction in solution by mixed quantum chemical/molecular mechanics simulations AIP Conf. Proc. 330, 79 (1995); 10.1063/1.47858 DFT investigations of structural and energetical features of [H2O2] n (n=−1,0,1) potential energy surfaces AIP Conf.We present photoexcitation experiments indicating that efficient CH(A) emission from irradiated ground state methylene can be observed only if energies of more than 9.5 eV have been deposited in the CH 2 ͑1 3 B 1 ͒ radical although according to energy considerations and adiabatic potentials 7.3 eV should be sufficient to generate CH(A). Theoretical studies on the photodissociation process using potential energy surfaces obtained with highly correlated quantum chemical methods and surface hopping techniques have been applied to understand the experimental observations.

Laser detection of CH2 in CH4–H2 mixture dc discharges

“…This detection is founded on the first observations made by Dunlop et al, 9 of the modifications in the spectral profile of the ground state H atom LIF in the presence of impurities in H 2 discharges, and is supported by results on the photolysis by ultraviolet radiation of CH x species. The CH 2 radical has been recently extensively studied [10][11][12][13][14][15][16] as well the CH 4 molecule. [17][18][19][20] The works concerning the CH 3 radical are somewhat older.…”