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Band structure of even and ions of odd polyenes (1977)

Tyutyulkov, Nikolay ; Kanev, Ivo ; Polansky, Oskar ; [et al.]

Springer

Theoretical chemistry accounts 46 (1977), S. 191-203

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ISSN: 1432-2234

Keywords: Polyenes, even, band structure of ∼ ; Polyenes, ions of odd, band structure of ∼

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract The analysis of experimental data for singlet transitions (ΔE n) of even polyenes (I), cations (II) and anions (III) of odd polyenes show that for infinite chains ΔE ∞(I)/ΔE ∞(II)=ΔE ∞(I)/ΔE ∞(III) = 2:1. It is shown that the energy gap is equal for the three systems. In cases (II) and (III) there is a level (NBMO) in the gap which is vacant in (II) and occupied in (III). That is why the first optical transition in (II) and (III) depends on the semiwidth of the gap.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00578229

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