화학공학소재연구정보센터
Journal of Chemical Physics, Vol.114, No.1, 231-239, 2001
Chemical dynamics of cyclopropynylidyne (c-C3H;(XB2)-B-2) formation from the reaction of C(D-1) with acetylene, C2H2(X (1)Sigma(+)(g))
The reaction between electronically excited carbon atoms, C(D-1), and acetylene was studied at two average collision energies of 45 kJ mol(-1) and 109 kJ mol(-1) employing:the crossed molecular beam technique. The time-of-flight spectra recorded at mass to charge m/e = 37(C3H+) and m/e = 36(C-3(+)) show identical patterns indicating the existence of a carbon versus atomic hydrogen exchange pathway to form C3H isomer(s); no H-2 elimination to the thermodynamically favorable tricarbon channel was observed. Forward-convolution fitting of our data shows that the reaction proceeds via direct stripping dynamics on the (1)A' surface via an addition of the carbon atom to the pi -orbital of acetylene to form a highly rovibrationally, short lived cyclopropenylidene intermediate which decomposes by atomic hydrogen emission to c-C3H(X B-2(2)). The dynamics of this reaction have important impact on modeling of chemical processes in atmospheres of comets approaching the perihelon as photolytically generated C(D-1) atoms are present.