Using optical spectroscopy method the dependence of the electronic structure and spectral properties of asymmetric cyanine dyes − the bases of styryls and methoxystyryls − on their chemical structure, primarily the type of terminal groups, was studied. The characteristics of electronic transitions were calculated using the TD/DFT/6-31G(d,p)/CAM-B3LYP method. It was shown that replacing the N(CH3)2 group with OCH3 in the series of dyes under study leads to blue shift of the absorption bands by approximately 50 nm, which is explained by the low location of the donor level of the methoxystyryl terminal group. When introducing the N(CH3)2 group, a shift of 20 nm for styryls and 40 nm for methoxystyryls was recorded, while for the H and OCH3 groups this shift was only 2 nm, i.e. the state of the molecule is extremely sensitive to the type of terminal group, regardless of whether it is styryl or methoxystyryl. Satisfactory agreement between the experimental results and quantum chemical calculations has been obtained.
| Mualliflar | Саломов, У.Э., Куйлиев, Б.Т., Науменко, А.П. |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashr sanasi | 2024-10-13 |
| Jild | 26 |
| Son | 3 |
| Til | Rus |
| DOI | 10.52304/.v26i3.544 |
DOI: 10.52304/.v26i3.544 · Maqolaning asl sahifasi
основы цианиновых красителей, стирилы, поглощение, флюоресценция, квантовохимическое моделирование, электронная структура, электронный переход, cyanine bases, absorption, fluorescence, quantum-chemical calculations, electron structures, electron transitions
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