AN EXPERIMENTAL AND AB INITIO STUDY OF THE ADDITION OF ATOMIC CARBON TO WATER.

Article abstract of DOI:10.1021/ja00350a033

The energetics of the formation and subsequent reactions of the carbon-water complex; the effect of the electronic state of carbon on the reaction, and the relative contributions of the reaction pathways were experimentally and theoretically investigated. The experimental results were in agreement with theoretical predictions. Atomic carbon, generated by the thermolysis of 5-diazotetrazole, reacts with water to give carbon monoxide (9. 5%) and formaldehyde (2. 4%). Addition of O//2 , a scavenger of C(**3 P), increases the CO yield to 53. 7% while leaving the formaldehyde yield unchanged. Reaction of carbon with O//2 alone produces only CO (47%). These results indicate that the state of carbon reactive toward water is a singlet, as indicated by the calculations.