High resolution electronic absorption spectra of anisole and phenoxyl radical

Bayrakçeken, Fuat; Aktaş, Selin; Toptan, Melek; Ünlügedik, Aslı

doi:10.1016/s1386-1425(02)00143-9

Cited by 18 publications

(4 citation statements)

References 9 publications

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“…These classes of phenolic compounds can take part in reactions of ROS elimination because of their ability to donate electrons to guaiacol-type POD [32]. Moreover, phenolic compounds may be converted to prooxidants by ester hydrolysis and bioreductive metabolism during stress conditions with formation of primary oxidized products -phenoxyl radicals (Fl-O • ) with a lifetime of 200 μs [33]. Fl-O…”

Section: Resultsmentioning

confidence: 99%

Response of phenolic metabolism induced by aluminium toxicity in Fagopyrum esculentum Moench. plants

Smirnov¹

2015

Ukr.Biochem.J.

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Section: Resultsmentioning

confidence: 99%

Response of phenolic metabolism induced by aluminium toxicity in Fagopyrum esculentum Moench. plants

Smirnov¹

2015

Ukr.Biochem.J.

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“…In the present study, protonation effects on the electronic transition energies and photophysical behavior of anisole and p-fluoroanisole will be addressed based on the CC2/MP2 methods. Anisole has been the subject of many experimental [43][44][45][46][47][48][49][50][51][52][53][54][55][56][57][58][59][60] and theoretical [61][62][63] studies. The high resolution S 1 -S 0 electronic excitation spectrum of anisole has been recorded in a molecular beam experiment by F. Lahmani et al 64 and later by C. G. Eisenhardt et al 48 It has been shown that the band origin of the S 1 -S 0 electronic transition of anisole lies at 36 386 cm À1 (4.512 eV).…”

Section: Introductionmentioning

confidence: 99%

Excited state deactivation pathways of neutral/protonated anisole and p-fluoroanisole: a theoretical study

Omidyan

Rezaei

2014

Phys. Chem. Chem. Phys.

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The potential energy profiles of neutral and protonated anisole and p-fluoroanisole at different electronic states have been investigated extensively by the RI-MP2 and RI-CC2 methods. The calculations reveal that the relaxation dynamics in protonated anisole and p-fluoroanisole are essentially different from those of the neutral analogues. In neutral anisole/p-fluoroanisole, the (1)πσ* state plays a vital relaxation role along the O-CH3 coordinate, yielding the CH3 radical. For both of these molecules, the calculations indicate conical intersections (CIs) between the ground and excited state potential energy (PE) curves, hindered by a small barrier, and providing non-adiabatic gates for radiation-less deactivation to the ground state. Nevertheless, for the protonated cases, besides the prefulvenic deformation of the benzene ring, it has been predicted that the lowest (1)(σ,n)π* state along the C-O-C bond angle plays an important role in photochemistry and the relaxation dynamics. The S1, S0 PE profiles of protonated anisole along with the former reaction coordinate (out-of-plane deformation) show a barrierless relaxation pathway, which can be responsible for the ultrafast deactivation of excited systems to the ground state via the low-lying S1/S0 conical intersection. Moreover, the later reaction coordinate in protonated species (C-O-C angle from 120°-180°) is consequently accompanied with the bond cleavage of C-OCH3 at the (1)(σ,n)π* state, hindered by a barrier of ∼0.51 eV, and can be responsible for the relaxation of excited systems with significant excess energy (hν≥ 5 eV). Furthermore, according to the RI-CC2 calculated results, different effects on the S1-S0 electronic transition energy of anisole and p-fluoroanisole upon protonation have been predicted. The first electronic transitions of anisole and p-fluoroanisole shift by ∼0.3 and 1.3 eV to the red respectively due to protonation.

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“…The electronically excited states of A B , and E B 2 1 have been characterized with absorption bands in the regions from 1140 nm to 1310 nm (Gunion et al 1992;Radziszewski et al 2001;Cheng et al 2008), 510 nm to 640 nm (Ward 1968;Pullin & Andrews 1982;Kesper et al 1991;Johnston et al 1993;Yu et al 1995;Radziszewski et al 2001;SpangetLarsen et al 2001), 370 nm to 400 nm (Porter & Wright 1955;Pullin & Andrews 1982;Kesper et al 1991;Radziszewski et al 2001;Spanget-Larsen et al 2001;Tonokura et al 2004), 270 nm to 300 nm (Porter & Wright 1955;Ward 1968;Kajii et al 1987;Berho & Lesclaux 1997;Platz et al 1998;Radziszewski et al 2001;Spanget-Larsen et al 2001;Bayrakceken et al 2003), and 220 nm to 250 nm (Kajii et al 1987;Berho & Lesclaux 1997;Platz et al 1998;Radziszewski et al 2001), respectively, where the z-axis isalong the C-O bond and the x-axis is perpendicular to the plane. Only the A B X B transitions show resolved vibrational structures (Johnston et al 1993;Radziszewski et al 2001;Spanget-Larsen et al 2001;Cheng et al 2008 transition.…”

Section: Introductionmentioning

confidence: 99%

Laboratory Optical Spectroscopy of the Phenoxy Radical as a Candidate for Diffuse Interstellar Bands

Araki

Matsushita

Tsukiyama

2015

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The gas-phase optical absorption spectrum of the B A X B 2 2 2 1¬transition of a phenoxy radical (C 6 H 5 O), which is a candidate molecule of diffuse interstellar bands (DIBs), was observed in the discharge of anisole using a cavity ring-down spectrometer. The spectrum comprised four peaks having broad and asymmetric profiles, which were regarded as a vibrational progression of ∼500 cm −1 . The progression was assigned to the 6a mode, and the broad and asymmetric profiles of the peaks accounted for the sequence of the 10b mode. Each component in both the progression and the sequence had a broad structure of 20-30 Å, which can be explained by a convolution of lifetime broadening and a rotational profile. Based on these assignments of the progression and the sequence, the vibronic transitions from v = 0 in the X B excited state were extracted to compare the laboratory bands with DIBs. Although the transitions did not agree with the observed DIBs, the upper limit of the column density for the phenoxy radical in the diffuse clouds toward HD 204827 was evaluated to be 7 × 10 14 cm −2 .

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High resolution electronic absorption spectra of anisole and phenoxyl radical

Cited by 18 publications

References 9 publications

Response of phenolic metabolism induced by aluminium toxicity in Fagopyrum esculentum Moench. plants

Response of phenolic metabolism induced by aluminium toxicity in Fagopyrum esculentum Moench. plants

Excited state deactivation pathways of neutral/protonated anisole and p-fluoroanisole: a theoretical study

Laboratory Optical Spectroscopy of the Phenoxy Radical as a Candidate for Diffuse Interstellar Bands

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