Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen
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...
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| Autor*in: |
Du, Lili [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2015 |
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| Rechteinformationen: |
Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. |
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| Übergeordnetes Werk: |
Enthalten in: Journal of Raman spectroscopy - Chichester [u.a.] : Wiley, 1973, 46(2015), 1, Seite 117-125 |
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| Übergeordnetes Werk: |
volume:46 ; year:2015 ; number:1 ; pages:117-125 |
| Links: |
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| DOI / URN: |
10.1002/jrs.4598 |
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OLC1965613284 |
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| 520 | |a 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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. | ||
| 540 | |a Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. | ||
| 650 | 4 | |a DFT calculation | |
| 650 | 4 | |a suprofen | |
| 650 | 4 | |a time‐resolved spectroscopy | |
| 650 | 4 | |a time‐resolved resonance Raman | |
| 650 | 4 | |a decarboxylation | |
| 650 | 4 | |a Photochemistry | |
| 650 | 4 | |a Theory | |
| 650 | 4 | |a Aqueous solutions | |
| 700 | 1 | |a Zhu, Ruixue |4 oth | |
| 700 | 1 | |a Xue, Jiadan |4 oth | |
| 700 | 1 | |a Du, Yong |4 oth | |
| 700 | 1 | |a Phillips, David Lee |4 oth | |
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10.1002/jrs.4598 doi PQ20160617 (DE-627)OLC1965613284 (DE-599)GBVOLC1965613284 (PRQ)c2408-3222216cb30ba02a1491df75938ad157097933f0f4a16bc3e63ddbe4cac3c6e93 (KEY)0047158520150000046000100117timeresolvedspectroscopicanddensityfunctionaltheor DE-627 ger DE-627 rakwb eng 540 DE-600 35.25 bkl 33.07 bkl Du, Lili verfasserin aut Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier 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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. DFT calculation suprofen time‐resolved spectroscopy time‐resolved resonance Raman decarboxylation Photochemistry Theory Aqueous solutions Zhu, Ruixue oth Xue, Jiadan oth Du, Yong oth Phillips, David Lee oth Enthalten in Journal of Raman spectroscopy Chichester [u.a.] : Wiley, 1973 46(2015), 1, Seite 117-125 (DE-627)129391832 (DE-600)184918-9 (DE-576)014776979 0377-0486 nnns volume:46 year:2015 number:1 pages:117-125 http://dx.doi.org/10.1002/jrs.4598 Volltext http://onlinelibrary.wiley.com/doi/10.1002/jrs.4598/abstract http://search.proquest.com/docview/1647560144 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 35.25 AVZ 33.07 AVZ AR 46 2015 1 117-125 |
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10.1002/jrs.4598 doi PQ20160617 (DE-627)OLC1965613284 (DE-599)GBVOLC1965613284 (PRQ)c2408-3222216cb30ba02a1491df75938ad157097933f0f4a16bc3e63ddbe4cac3c6e93 (KEY)0047158520150000046000100117timeresolvedspectroscopicanddensityfunctionaltheor DE-627 ger DE-627 rakwb eng 540 DE-600 35.25 bkl 33.07 bkl Du, Lili verfasserin aut Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier 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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. DFT calculation suprofen time‐resolved spectroscopy time‐resolved resonance Raman decarboxylation Photochemistry Theory Aqueous solutions Zhu, Ruixue oth Xue, Jiadan oth Du, Yong oth Phillips, David Lee oth Enthalten in Journal of Raman spectroscopy Chichester [u.a.] : Wiley, 1973 46(2015), 1, Seite 117-125 (DE-627)129391832 (DE-600)184918-9 (DE-576)014776979 0377-0486 nnns volume:46 year:2015 number:1 pages:117-125 http://dx.doi.org/10.1002/jrs.4598 Volltext http://onlinelibrary.wiley.com/doi/10.1002/jrs.4598/abstract http://search.proquest.com/docview/1647560144 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 35.25 AVZ 33.07 AVZ AR 46 2015 1 117-125 |
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10.1002/jrs.4598 doi PQ20160617 (DE-627)OLC1965613284 (DE-599)GBVOLC1965613284 (PRQ)c2408-3222216cb30ba02a1491df75938ad157097933f0f4a16bc3e63ddbe4cac3c6e93 (KEY)0047158520150000046000100117timeresolvedspectroscopicanddensityfunctionaltheor DE-627 ger DE-627 rakwb eng 540 DE-600 35.25 bkl 33.07 bkl Du, Lili verfasserin aut Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier 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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. DFT calculation suprofen time‐resolved spectroscopy time‐resolved resonance Raman decarboxylation Photochemistry Theory Aqueous solutions Zhu, Ruixue oth Xue, Jiadan oth Du, Yong oth Phillips, David Lee oth Enthalten in Journal of Raman spectroscopy Chichester [u.a.] : Wiley, 1973 46(2015), 1, Seite 117-125 (DE-627)129391832 (DE-600)184918-9 (DE-576)014776979 0377-0486 nnns volume:46 year:2015 number:1 pages:117-125 http://dx.doi.org/10.1002/jrs.4598 Volltext http://onlinelibrary.wiley.com/doi/10.1002/jrs.4598/abstract http://search.proquest.com/docview/1647560144 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 35.25 AVZ 33.07 AVZ AR 46 2015 1 117-125 |
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10.1002/jrs.4598 doi PQ20160617 (DE-627)OLC1965613284 (DE-599)GBVOLC1965613284 (PRQ)c2408-3222216cb30ba02a1491df75938ad157097933f0f4a16bc3e63ddbe4cac3c6e93 (KEY)0047158520150000046000100117timeresolvedspectroscopicanddensityfunctionaltheor DE-627 ger DE-627 rakwb eng 540 DE-600 35.25 bkl 33.07 bkl Du, Lili verfasserin aut Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier 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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. DFT calculation suprofen time‐resolved spectroscopy time‐resolved resonance Raman decarboxylation Photochemistry Theory Aqueous solutions Zhu, Ruixue oth Xue, Jiadan oth Du, Yong oth Phillips, David Lee oth Enthalten in Journal of Raman spectroscopy Chichester [u.a.] : Wiley, 1973 46(2015), 1, Seite 117-125 (DE-627)129391832 (DE-600)184918-9 (DE-576)014776979 0377-0486 nnns volume:46 year:2015 number:1 pages:117-125 http://dx.doi.org/10.1002/jrs.4598 Volltext http://onlinelibrary.wiley.com/doi/10.1002/jrs.4598/abstract http://search.proquest.com/docview/1647560144 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 35.25 AVZ 33.07 AVZ AR 46 2015 1 117-125 |
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10.1002/jrs.4598 doi PQ20160617 (DE-627)OLC1965613284 (DE-599)GBVOLC1965613284 (PRQ)c2408-3222216cb30ba02a1491df75938ad157097933f0f4a16bc3e63ddbe4cac3c6e93 (KEY)0047158520150000046000100117timeresolvedspectroscopicanddensityfunctionaltheor DE-627 ger DE-627 rakwb eng 540 DE-600 35.25 bkl 33.07 bkl Du, Lili verfasserin aut Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier 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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. Nutzungsrecht: Copyright © 2014 John Wiley & Sons, Ltd. DFT calculation suprofen time‐resolved spectroscopy time‐resolved resonance Raman decarboxylation Photochemistry Theory Aqueous solutions Zhu, Ruixue oth Xue, Jiadan oth Du, Yong oth Phillips, David Lee oth Enthalten in Journal of Raman spectroscopy Chichester [u.a.] : Wiley, 1973 46(2015), 1, Seite 117-125 (DE-627)129391832 (DE-600)184918-9 (DE-576)014776979 0377-0486 nnns volume:46 year:2015 number:1 pages:117-125 http://dx.doi.org/10.1002/jrs.4598 Volltext http://onlinelibrary.wiley.com/doi/10.1002/jrs.4598/abstract http://search.proquest.com/docview/1647560144 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 35.25 AVZ 33.07 AVZ AR 46 2015 1 117-125 |
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time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen |
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Time‐resolved spectroscopic and density functional theory investigation of the photochemistry of suprofen |
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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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. |
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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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. |
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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. In an aqueous solution, a triplet biradical species ( 3 ETK‐1) was obtained as the product of a decarboxylation process from the triplet suprofen anion ( 3 SPF − ), and the reaction rate of the decarboxylation process was determined by the concentration of H2O in the solution. |
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