We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Computational insight into asymmetric uranyl‐salophen coordinated with α, β‐unsaturated aldehydes and ketones.
- Authors
Lan, Wen‐Bo; Wang, Xiao‐Feng; He, Li‐Ping; Meng, Yan‐Bin; Li, Jun; Qiu, Bin; Nie, Chang‐Ming
- Abstract
The study of the catalytic activity and activation mechanism of asymmetric uranyl‐salophens with α, β‐unsaturated aldehydes or α, β‐unsaturated ketones, is a research hotspot. In this paper, the complexes of the uranyl–salophen(U‐S) modified by unilateral benzene, coordinated with cyclohexenone, cyclopentenone and acrolein, were investigated using density functional theory calculations at the level of B3LYP/6‐311G(d, p) basis set. The results showed that the uranyl‐salophen(U‐S) weakened the large π bond between C = C and C = O of the α, β‐unsaturated aldehydes and ketones, making the unsaturated aldehydes and ketones activated. In addition, the molecular‐recognition selectivity of the asymmetrical uranyl‐salophen for cyclohexenone and cyclopentenone were much higher than for acrolein.
- Subjects
URANYL compounds synthesis; ALDEHYDE derivatives; KETONE synthesis; MOLECULAR structure; ORGANIC compounds
- Publication
Applied Organometallic Chemistry, 2018, Vol 32, Issue 3, p1
- ISSN
0268-2605
- Publication type
Article
- DOI
10.1002/aoc.4137