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Radical singlet, potential energy surfaces

Acetaldehyde, 119-20, 380-82 Acetone, chemical titration. 428 oxetane formation, 318, 427 singlet and triplet states, 382. 428 Acetophenone. 407. 467 Acetylene, 203. 348 cycloaddition, 415, 423 excited state geometry. 45-46 2-Acetylnaphthalene, 398 6-Acetyloxycyclohexadienones. 463 Acidity, excited states, 48-52 Acrolein, 34, 382-83, 433 Acrylonitrile, 328, 414-15, 417 Activation energy, 382-83, 400 Acyl radical. 3S2-S5, 380-82, 460 Adiabatic. See Potential energy surface ... [Pg.272]

The structures of the potentially aromatic azirinyl, diazirinyl, and triazirinyl cations 810, and related radical cations, have been investigated using a 6-31G basis set <1991JA3689>. In accord with Hiickels rule, the calculated properties of the species 810 are consistent with aromatic structures. The triazirinyl cation 10 is the minimum energy structure of the NJ singlet potential surface and 11 kcal mol1 below the energy of the open-chain form. [Pg.215]

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See also in sourсe #XX -- [ Pg.24 ]



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Energy singlet

Radical potential energy surfaces

Singlet radicals

Surface radicals

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