Abstract.We have done quantitative analysis of vibronic parameters of two cross-conjugated δ-dimethylaminoketones. The research shows the influence of С-N and C=O bonds in the rings, and the radicals with nitro compounds on the vibronic parameters of characteristic bands, which describe the state (vibrations, types of deformation under excitation) of the phenyl ring and the polyene bridge. Results described impact of the substituent's nature on the parameters of intra-and intermolecular interactions presents for the studied compounds.We have done analyses, which interpreting major characteristic vibrational bands crosssubstituted ketones. It shows that ketones like the diphenylpolyenes, one can observe the appearance of the lines in the spectra which corresponding to the change of such specific elements molecules as polyene bridge or aromatic ring.It is known that frequency bands of compounds with the carbonyl group in six-bonds ring are the same as in the compounds with the open chain (when C=O group is located between two methylene groups) [1], however, it known nothing about the intensity of these bands. Therefore, it was interest to produce the comparative analysis of the spectral properties of ketones and diphenylpolyenes at the same time, and quantification of the contribution of intramolecular interactions in the organization of the fine-structure spectra of these molecules. In order to realize such kind if investigations the different methods of selective laser spectroscopy can be used [2,3], in particular vibrational analysis of conjugated absorption and luminescence spectra [4][5][6][7].In this study, the basic osciliation for ketones with general formula R1,2=Ph-CO-R1 (where R1o(CH=CH)2-N(CH3)2, R2oCH3-NC4H3-CH, Pho(HOC6H6)) were correlated with the interpretation of similar value and substituent frequencies 1,4-diphenylbutadiene with the substituent on the ring N(CH3)2 and NO2, respectively (after -DFB3), which spectral properties have been studied previously [8][9][10]. We shown how band intensities ketones characterizing polyene bridge and the phenyl ring are changes. We selected the first molecule of the ketone with the same substituents as locate in DFB3, left polyene chain in the second molecule of the ketone folds into a five-membered ring (R2).It is shown that the parameters of vibronic spectra of ketone molecules exhibit a high degree of tolerance in the molecules sequence which having the same set of structural elements. It greatly expands the possibilities for use of the fragmented approach to describe the fundamental bands of molecules [6,7,[11][12][13].Participation ketone molecules in the formation of hydrogen bonds significantly reduces the frequency of the C=O (Tab. 1, line 2), conjugate with multiple bonds and aromatic rings
Abstract.We have done quantitative analysis of parameters FranckCondon and Herzberg-Teller interactions of substituted diphenylbutadiene with general formula all-trans-X-Ph-(C = C)2-Ph-Y (X, Y = H, NO2, N(CH3)2, NH2 various combinations). The research shows the influence of substituents on the vibronic parameters of characteristic bands, which describe the state (vibrations, types of deformation under excitation) of the phenyl ring and the polyene bridge at the diphenylbutadiene molecule. Results described impact of the substituent's nature on the parameters of intra-and intermolecular interactions presents for the studied compounds.The methods of site-selective spectroscopy are very powerful for investigations of interand intra-molecular processes in complex organic dye doped solids (see e.g. [1-4] and references therein). In particular a lot of information about intramolecular interactions can be obtained by joint analysis of absorption and luminescence electronic-vibrational spectra of organic compounds. [5][6][7][8] In the majority works, which devoted to the spectra of substituted polyenes with trans-configuration, for the same substituted compounds there is considerable overlap between the general characteristic vibrational bands locations and these interpretations.It is known that the substituents in the para position (in this study -nitro and amino groups) irrespective of their electronic nature violate uniform distribution of electron density in the molecule of DPB [9]. It should affect by the quantification of intramolecular interactions. Therefore, it was interest to produce comparative analysis of the spectral properties and quantification of the contribution of intramolecular interactions in the formation of the fine-structure spectra. The relative intensities of bands in the spectra of were calculated by the procedure described in [7,8]. Based on the modern theory of molecular spectra in the adiabatic approximation ,which makes it possible to simultaneously take into account the influence of the Franck-Condon and Herzberg-Teller interactions on the shape of optical bands [10], we calculated the parameters а and α (of the FC and HT interactions, respectively) for each vibronic transition of the studied molecules.In this study, the basic oscillations for substituted compounds were correlated with the interpretation of similar value 1,4-diphenylbutadiene, which spectral properties have been studied previously [11][12][13]. We shown to considered acceptors and donors, and besides the
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