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17
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33644647154
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note
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-1, including both the growth and the decay, was not possible.
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19
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33644639039
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note
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(b) Energy minima: UCCSD(T)/cc-pVTZ. Transition states: UCCSD-(T)/cc-pVTZ//UCCSD(T)/cc-pVDZ. The C-O bond distance in the TS for formation of E-FCOOO is calculated as R = 2.14 Å. The TS is calculated to be almost planar. (E) refers to E-fluoroformylperoxy or to its TS of formation, and (Z) refers to Z-fluoroformylperoxy or to its TS of formation.
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20
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84970580321
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Neville, A.G.2
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Ingold, K.U.4
Lusztyk, J.5
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21
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0001861760
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Wong, M.; Johns, J. W. C.; McKellar, A. R. W. J. Mol. Spectrosc. 1982, 94, 79-94.
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0031570998
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(a) Groenenboom, C. J.; Hageman, H. J.; Oosterhoff, P.; Overeem, T.; Verbeek, J. J. Photochem. Photobiol, A 1997, 107, 261-269.
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23
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33644636134
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note
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.)Ph, as observed by Groenenboom and co-workers, is predicted to be endothermic and thus has to be driven by the entropy term.
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24
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0010597196
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-1) should have been readily detectable in our experiments, and monomeric FCOOH in acetonitrile solution is unlikely to have a lifetime in the low microsecond range only. Furthermore, decay of FCOOH would have to be coupled to a secondary formation of carbon dioxide, which we do not observe.
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(1991)
Chem. Phys.
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Francisco, J.S.1
Ghoul, W.A.2
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26
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33644643317
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note
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2 extrusion would have to occur via a strained transition state involving a four-membered ring, which appears unlikely. The formation of FCOOO in a vibrationally hot state that rapidly decarboxylates appears more plausible.
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29
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33644656336
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note
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2 is higher than the intensity of the CO band by a factor of ca. 8. The absorption of CO thus remains hidden in the experimental noise.
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