20.500.12556/RUNG-4394-9efb099a-f7fc-a2b1-19ed-97d7f3d4037e
Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol
The initial deactivation pathways of gaseous 2-nitrophenol excited at 268 nm were investigated by time-resolved photoelectron spectroscopy (TRPES) with femtosecond-VUV light, produced by a monochromatized high harmonic generation source. TRPES allowed us to obtain new, valuable experimental information about the ultrafast excited-state dynamics of 2-nitrophenol in the gas phase. In accord with recent ab initio on-the-fly nonadiabatic molecular dynamic simulations, our results validate the occurrence of an ultrafast intersystem crossing leading to an intermediate state that decays on a subpicosecond time scale with a branched mechanisms. Two decay pathways are experimentally observed. One probably involves proton transfer, leading to the most stable triplet aci-form of 2-nitrophenol; the second pathway may involve OH rotation. We propose that following intersystem crossing, an ultrafast fragmentation channel leading to OH or HONO loss could also be operative.
Ultrafast photoemission
nitrophenol
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true
false
Angleški jezik
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2019-02-12 09:41:24
2019-02-12 10:02:55
2023-06-09 03:29:51
0000-00-00 00:00:00
2019
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8
DOI: 10.1021/acs.jpca.8b10136
2019
0000-00-00
NiDoloceno
NiDoloceno
NiDoloceno
0000-00-00
0000-00-00
0000-00-00
5327611
10.1021/acs.jpca.8b10136
URN:SI:UNG:REP:IO4YWBQC
Univerza v Novi Gorici
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1
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