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- W1971290739 abstract "Abstract The process of the thermal cis-trans back-isomerization was investigated utilizing the streptocyanines trimethincyanine, pentamethincyanine, and heptamethincyanine as model compounds. Using the MNDO method, the activation energies for this process were calculated to be of similar magnitude as the experimental values measured above a critical temperature. An anion located geometrically at a certain distance above the polymethine chain decreases the activation barrier by a factor of 2–3. The different activation energies for the thermal cis-trans isomerization of streptocyanines in different temperature regions can be explained by this fact. Isomerization mechanisms by simultaneous rotations about two bonds can be excluded." @default.
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- W1971290739 date "1991-05-01" @default.
- W1971290739 modified "2023-09-27" @default.
- W1971290739 title "A quantum chemical study on the alternative mechanisms of the thermal cis-trans isomerization of streptocyanines" @default.
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- W1971290739 doi "https://doi.org/10.1016/0301-0104(91)90006-f" @default.
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