Experimental and theoretical studies on solvent effects of amphiphilic conjugated polyenalsElectronic supplementary information (ESI) available: Table S1: dipole moments, energies of solvation, HOMO–LUMO band gaps and solvent effects on the first pi–pi transition of the studied alkoxyphenylpolyenals. See http://www.rsc.org/suppdata/cp/b2/b208125c/

Domagalska, Beata W.; Wilk, Kazimiera A.; Wysocki, S.

doi:10.1039/b208125c

Cited by 22 publications

(3 citation statements)

References 78 publications

(110 reference statements)

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“…4 it is clear that compounds 5 and 6 shows positive and negative sign in all seven solvents for BLA and BOA respectively. Hence, compounds 5 and 6 approaches cyanine limit (BLA, BOA=0) from polyene limit (BLA=0.1, BOA=0.6) . Hence, the compounds 5 and 6 concluded as the better candidate for NLO applications as both form cyanine like framework in bond length alteration and bond order alteration.…”

Section: Resultsmentioning

confidence: 87%

Pyrene Based NLOphoric D‐π‐A‐π‐D Coumarin‐Chalcone and Their Red Emitting OBO Difluoride Complex: Synthesis, Solvatochromism, Z‐scan, and Detailed TD‐DFT Studies

Yadav

Erande

Sreenath³

et al. 2019

ChemistrySelect

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NLOphoric D-π-A-π-D coumarin chalcone 5 and their BF 2 complex 6 were designed, synthesized and characterized through Mass, 13 C-NMR, and 1 H-NMR analysis. Their Photophysical properties are extensively studied in solvents of different polarity. On BF 2 complexation of coumarin chalcone shows highly red shift in absorption and emission spectra compared to uncomplexed coumarin chalcone. Positive solvatochromism observed which is well supported by linear and multilinear regression analysis. For BF 2 complexed coumarinchalcone 6 the solvent dipolarity (C SdP ) is the main factor responsible for slightly red shift in absorption spectra, and also for the highly red-shift in emission spectra. Frontier molecular orbital, molecular electrostatic potential and Generalized Mulliken-Hush analysis revealed intramolecular charge transfer in these compounds. Nonlinear optical (NLO) properties for compounds 5 and 6 were studied by solvatochromic and computational method. The linear polarizability (α), first-order hyperpolarizability (β) and second-order hyperpolarizability (γ) of compounds were studied by the time dependent density functional theory using three different functionals namely B3LYP, BHHLYP and CAMÀ B3LYP with the 6-31 G (d) basis set. BF 2 complexed compound 6, show higher values for α e + α v as well as β e + β v compared to compound 5. Third order nonlinear optical susceptibility (χ (3) ) of these compounds obtained by Zscan analysis. Third-order (χ (3) ) non-linear optical properties of BF 2 complexed coumarin-chalcone 6 were observed to be several times higher than those of the uncomplexed coumarinchalcone 5 these justify the design approach.[a] S.

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Section: Resultsmentioning

confidence: 87%

Pyrene Based NLOphoric D‐π‐A‐π‐D Coumarin‐Chalcone and Their Red Emitting OBO Difluoride Complex: Synthesis, Solvatochromism, Z‐scan, and Detailed TD‐DFT Studies

Yadav

Erande

Sreenath³

et al. 2019

ChemistrySelect

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“…47,48 Table 6 shows clearly that the HOMO energy of 2 is higher than that of 1, but its LUMO is smaller than that of 1. While, the energies of the HOMO and LUMO of 3 are lower than those of 1 respectively.…”

Section: Cyclic Voltammogramsmentioning

confidence: 97%

Synthesis and Spectral Tuning of Novel Triphenylamine‐Based Derivatives Containing Electron Donor‐Acceptor Groups

et al. 2010

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This paper presents the investigation of tuning the color and photoluminescence of a range of triphenylaminebased derivatives with various substituent groups. The ultraviolet/visible absorption and fluorescence spectroscopy of the derivatives showed remarkable difference. The molecular geometry optimization demonstrated that the properties of the ground state and the excited state of the compounds have a close relationship with the substituent groups. Therefore, it is possible to tune the color and photoluminescence of the derivatives at molecular level. The cyclic voltammograms of these compounds were detected in methylene chloride at various scan rates. The thermal stabilities of the compounds were analyzed with the different scanning calorimetry and the thermogravimetry.

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“…[10,11] Nonetheless, linear-conjugated compounds at λ ϱ probably combine the properties of polyenes, carotenoids and cyanine dyes. [12,13] Whatever the exact value of λ ϱ , a carotenoid approaching the absorption limit has not yet been obtained. Synthesis and work-up procedures become more and more complicated as the chain length is extended and the stability of the highly unsaturated compounds is precariously affected.…”

Section: Introductionmentioning

confidence: 95%