Time-resolved spectroscopic and density functional theory study of the photochemistry of Irgacure-2959 in an aqueous solution.
Title | Time-resolved spectroscopic and density functional theory study of the photochemistry of Irgacure-2959 in an aqueous solution. |
Publication Type | Journal Article |
Year of Publication | 2014 |
Authors | Liu, Mingyue, Li Ming-De, Xue Jiadan, and Phillips David Lee |
Journal | The journal of physical chemistry. A |
Volume | 118 |
Issue | 38 |
Pagination | 8701-7 |
Date Published | 2014 Sep 25 |
ISSN | 1520-5215 |
Abstract | The photocleavage reaction mechanism of 2-hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone (Irgacure-2959) was investigated using femtosecond (fs) and nanosecond (ns) transient absorption (-TA) spectroscopy and also picosecond (ps) and nanosecond (ns) time-resolved resonance Raman (-TR(3)) spectroscopy experiments in a water-rich (volume ratio of acetonitrile/water = 3:7) solution. TA spectroscopy was used to study the dynamics of the benzoyl radical growth and decay as well as to investigate the radical quenching process by the radical scavenger methyl acrylate. ps- and ns-TR(3) spectroscopies were employed to monitor the formation of the benzoyl radical and also to characterize its electronic and structural properties. The fs-TA experiments results indicate that the Irgacure-2959 lowest lying excited singlet state S1 underwent efficient intersystem crossing (ISC) to convert into its triplet state with a time constant of 4 ps. Subsequently, this triplet species dissociated into the benzoyl and alkyl radicals with a corresponding maximum absorption band at 415 nm. The TR(3) results in conjunction with results from DFT calculations confirmed that Irgacure-2959 cleaved into the benzoyl and alkyl radicals at a fast rate on the tens of picosecond time scale. |
DOI | 10.1021/jp506099n |
Alternate Journal | J Phys Chem A |