Comparative study of the photodynamics of malonaldehyde and Acetylacetone (cas 123-54-6)☆
-
Add time:09/08/2019 Source:sciencedirect.com
In this computational study we explore the photodynamics of malonaldehyde and compare it to that of the homologous acetylacetone. Upon photoexcitation to the bright S2(ππ∗) state malonaldehyde relaxes to the S1(nπ∗) state on an ultrashort time scale. Once in the S1(nπ∗) state the population of malonaldehyde splits. Part of the population undergoes internal conversion to the ground state by deplanarization of the H-chelate ring, while the other part crosses to the triplet manifold. The comparison with acetylacetone reveals a substantial increase of the internal conversion pathways, from less than 20% in acetylacetone to 40% in malonaldehyde. We show that the substitution of the aliphatic hydrogens by the methyl groups reduces the accessibility of the S1/S0 conical intersection seam in acetylacetone. The system then crosses to the triplet manifold and homolytic C–CH3 bond cleavage takes place.
We also recommend Trading Suppliers and Manufacturers of Acetylacetone (cas 123-54-6). Pls Click Website Link as below: cas 123-54-6 suppliers
Prev:Original articleDensities, viscosities, and refractive indices for binary and ternary mixtures of formamide (1) + N,N-dimethylacetamide (2) + 2-methyl-1-butanol (3) at 298.15 K for the liquid region and at ambient pressure
Next:Effects of Acetylacetone (cas 123-54-6) on the thermal and photochemical conversion of benzoquinone in aqueous solution) - 【Back】【Close 】【Print】【Add to favorite 】
- Related Information
- Reactivity of the HoPc2I in the Acetylacetone (cas 123-54-6)–water system09/28/2019
- Comparative solution and structural studies of half-sandwich rhodium and ruthenium complexes bearing curcumin and Acetylacetone (cas 123-54-6)10/01/2019
- Fate and implication of Acetylacetone (cas 123-54-6) in photochemical processes for water treatment09/27/2019
- Enhanced decomplexation of Cu(II)-EDTA: The role of Acetylacetone (cas 123-54-6) in Cu-mediated photo-Fenton reactions09/26/2019
- Effects of Acetylacetone (cas 123-54-6) on the photoconversion of pharmaceuticals in natural and pure waters☆09/25/2019
- The Acetylacetone (cas 123-54-6)-water complex in a low-temperature solid argon matrix09/24/2019
- SBA-15:TiO2 nanocomposites: II. Direct and post-synthesis using Acetylacetone (cas 123-54-6)09/10/2019
- Effects of Acetylacetone (cas 123-54-6) on the thermal and photochemical conversion of benzoquinone in aqueous solution09/09/2019