TY  - JOUR
A1  - Dähne, Siegfried
A1  - Yesudas, Kada
A1  - Dekhtyar, Marina
T1  - The polymethine nature of Vis/NIR chromophores
JF  - Journal of the chinese chemical society
N2  - The polymethine concept is known to rationalize a plethora of spectroscopic issues, thus finding wide applications in modern color theory. This approach was questioned by the arguments in the relevant “dye” literature. Based on the critical analysis of these arguments, the errors are clarified and the superiority of the polymethine concept above other attempts to qualitatively explain color and constitution relationships is exemplified at relevant dye molecules absorbing in the visible and near‐infrared spectral region. The classical chromophore theory, topological approaches, different‐level semiempirical techniques, and DFT/ab initio methods are comparatively analyzed to interpret the optical effects of structural modifications in conjugated compounds regarded as polymethine derivatives.
KW  - Alternation perturbation effects
KW  - Color rules
KW  - Conjugated polymethine chromophore
KW  - Polymethine concept
KW  - Red and blue color shifts
KW  - π-Electron alternation
PY  - 2023
DO  - https://doi.org/10.1002/jccs.202300346
SN  - 2192-6549
VL  - 71
IS  - 1
SP  - 99
EP  - 117
PB  - Wiley
CY  - Malden, Mass.
AN  - OPUS4-62842
LA  - eng
AD  - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER  -