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Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen
Author(s) -
Du Lili,
Zhu Ruixue,
Xue Jiadan,
Du Yong,
Phillips David Lee
Publication year - 2015
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.4598
Subject(s) - intersystem crossing , chemistry , decarboxylation , photochemistry , excited state , singlet state , protonation , raman spectroscopy , resonance (particle physics) , triplet state , ultrafast laser spectroscopy , ion , spectroscopy , molecule , catalysis , organic chemistry , physics , particle physics , quantum mechanics , nuclear physics , optics
The photochemistry of suprofen (SPF) was investigated by femtosecond transient absorption (fs‐TA), resonance Raman (RR) and nanosecond time‐resolved resonance Raman (ns‐TR 3 ) spectroscopic methods to gain additional information so as to better elucidate the possible photochemical reaction mechanism of suprofen in several different solvents. In neat acetonitrile (MeCN), the fs‐TA and ns‐TR 3 experimental data indicated that the lowest lying excited singlet state S 1 (nπ*) underwent an efficient intersystem crossing process (ISC) to the excited triplet state T 3 (ππ*), followed by an internal conversion (IC) process to T 1 (ππ*). In the aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from triplet suprofen anion ( 3 SPF − ) and the reaction rate of the decarboxylation process was determined by the concentration of H 2 O. A protonation process for 3 ETK‐1 leads to formation of a neutral species ( 3 ETK‐3) that was directly observed by ns‐TR 3 spectra, then this 3 ETK‐3 species decayed via ISC process to generate final product. Copyright © 2014 John Wiley & Sons, Ltd.