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The time response of UV-vis spectra, measured at intervals of 30 min after dissolution, is shown in the Supporting Information.
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The time response of UV-vis spectra, measured at intervals of 30 min after dissolution, is shown in the Supporting Information.
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16
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33847728662
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The UV irradiations were carried out using the light of a 150 W tungsten-xenon source equipped with cutoff filters to pass the 365 nm wavelength.
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The UV irradiations were carried out using the light of a 150 W tungsten-xenon source equipped with cutoff filters to pass the 365 nm wavelength.
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17
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33847705712
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In a cyclic voltammogram of the complex in THF (0.1 mM, platinum counter and working electrodes and a Ag/AgCl reference electrode with, nBu4P, PF6, 0.1 M) as an electrolyte were used. The same sample before and after the UV irradiation showed a Fe III/FeII redox wave at -0.37 and -0.35 V vs ferrocenium/ferrocene, respectively, See the Supporting Information for details
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II redox wave at -0.37 and -0.35 V (vs ferrocenium/ferrocene), respectively. (See the Supporting Information for details.)
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Emeleus, H. J, Sharpe, A. G, Eds, Academic Press: New York
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The low-lying 30 excited states of 1a (theoretical model for 1) were computed using TDDFT (TD-B3LYP//UB3LYP/TZVP for iron and bromine; 6-31+G* for others). No significant oscillator strength was detected (wavelengths from 3454 to 267 nm). (See the Supporting Information for details.)
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The low-lying 30 excited states of 1a (theoretical model for 1) were computed using TDDFT (TD-B3LYP//UB3LYP/TZVP for iron and bromine; 6-31+G* for others). No significant oscillator strength was detected (wavelengths from 3454 to 267 nm). (See the Supporting Information for details.)
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21
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0001185357
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(a) Bel'skii, V. K.; Ishchenko, V. M.; Bulychev, B. M.; Protskii, A. N.; Soloveichik, G. L.; Ellert, O. G.; Seifulina, Z. M.; Rakitin, Yu. V.; Novotortsev, V. M. Inorg. Chim. Acta 1985, 96, 123-127.
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33847710713
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The nonrelativistic DV-Xα calculations were performed with a Slater exchange parameter, α, of 0.7 for all atoms and with 29000 and 9000 DV sampling points, respectively. (See the Supporting Information for details.)
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The nonrelativistic DV-Xα calculations were performed with a Slater exchange parameter, α, of 0.7 for all atoms and with 29000 and 9000 DV sampling points, respectively. (See the Supporting Information for details.)
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