Comparative study of structure and photo-induced reactivity of malonaldehyde and acetylacetone isolated in nitrogen matrices

• Published in: Физика низких температур
• Date: 2006
• Main Authors: Trivella, A., Coussan, S., Chiavassa, T., Theule, P., Manca, C., Roubin, P.
• Format: Article
• Language: English
• Published: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2006
• Subjects: Molecular Solids
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120884
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Comparative study of structure and photo-induced
 reactivity of malonaldehyde and acetylacetone isolated
 in nitrogen matrices / A. Trivella, S. Coussan, T. Chiavassa, P. Theule, C. Manca, P. Roubin // Физика низких температур. — 2006. — Т. 32, № 11. — С. 1372–1381. — Бібліогр.: 59 назв. — англ.

Structure and reactivity of the eight enolic forms (one chelated and seven non-chelated) of
 malonaldehyde and acetylacetone are compared through theoretical and experimental data.
 Ground-state geometries, energies, and vibrational frequencies are calculated with the
 B3LYP/...