<p> Various low-lying electronic states of formaldehyde
and acetone have been investigated, using molecular orbital calculations,
to determine their involvement in the photochemical system. The potential
energy surfaces of these states were calculated using the CND0/2. </p> <p> The results of this study show that the decomposition of
formaldehyde to molecular products H2 and CO (process II) occurs via
the ground state; the potential surface of this process was studied using
configuration interaction methods. </p> <p> The process leading to radical products in both acetone and formaldehyde (process I) can arise either directly from the singlet and triplet (n,π*) states via a reaction path of no symmetry, or by crossing to the 3 (π,π*) state should Cs symmetry be maintained. The ground state is the only other state correlating with radical products. </p> / Thesis / Master of Science (MSc)
| Identifer | oai:union.ndltd.org:mcmaster.ca/oai:macsphere.mcmaster.ca:11375/20717 |
| Date | 09 1900 |
| Creators | White, Gerald |
| Contributors | Yarwoord, A. J., Chemistry |
| Source Sets | McMaster University |
| Language | English |
| Detected Language | English |
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