Acridine-1, 8-diones – A new class of thermally stable NLOphores: Photophysical, (hyper)polarizability and TD-DFT studies

Thorat, Kishor G.; Tayade, Rajratna P.; Sekar, Nagaiyan

doi:10.1016/j.optmat.2016.10.020

Cited by 12 publications

(6 citation statements)

References 77 publications

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“…Figure 1a -octahydro-1H-acridin-10-yl]-benzoic acid] respectively, both these dyes have one carboxylic group; in case of the former it is attached to an aliphatic chain consisting of 3 carbon atoms, and in case of the later it is attached to a phenyl ring. The procedure of synthesis of the dyes is given by Thorat et al [29]. Figure 1b(i), (ii) are schematic (two dimensional) representation of the parts of dye molecule which were used to obtain dihedral angle and bond angle data are using Gaussview5 software.…”

Section: Methodsmentioning

confidence: 99%

Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

et al. 2019

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Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, monocarboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes.

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Section: Methodsmentioning

confidence: 99%

Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

et al. 2019

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“…The adduct was obtained in good yield (80%), despite the challenges in completing this MCR. Several works [ 131 , 132 , 133 ] shed light on the synthesis of acridinedione scaffolds in catalyzed MCRs. The reaction in the absence of a catalytic system, even at higher temperatures, afforded the final adduct in very low yields (traces) [ 127 ].…”

Section: Catalyst-free Mcrs and Reasons To Use Catalystsmentioning

confidence: 99%

Catalytic Approaches to Multicomponent Reactions: A Critical Review and Perspectives on the Roles of Catalysis

2021

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In this review, we comprehensively describe catalyzed multicomponent reactions (MCRs) and the multiple roles of catalysis combined with key parameters to perform these transformations. Besides improving yields and shortening reaction times, catalysis is vital to achieving greener protocols and to furthering the MCR field of research. Considering that MCRs typically have two or more possible reaction pathways to explain the transformation, catalysis is essential for selecting a reaction route and avoiding byproduct formation. Key parameters, such as temperature, catalyst amounts and reagent quantities, were analyzed. Solvent effects, which are likely the most neglected topic in MCRs, as well as their combined roles with catalysis, are critically discussed. Stereocontrolled MCRs, rarely observed without the presence of a catalytic system, are also presented and discussed in this review. Perspectives on the use of catalytic systems for improved and greener MCRs are finally presented.

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“…This boat conformation is in agreement with results on related compounds. 37,38 At the same time, there is an intramolecular pi-stacking arrangement between the phenyl ring of one of the acridine donor units and the pyrimidine acceptor moiety (Fig. S7, ESI †).…”

Section: Theoretical Calculationsmentioning

confidence: 99%

Low efficiency roll-off blue TADF OLEDs employing a novel acridine–pyrimidine based high triplet energy host

et al. 2021

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Acridine-1, 8-diones – A new class of thermally stable NLOphores: Photophysical, (hyper)polarizability and TD-DFT studies

Cited by 12 publications

References 77 publications

Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

Catalytic Approaches to Multicomponent Reactions: A Critical Review and Perspectives on the Roles of Catalysis

Low efficiency roll-off blue TADF OLEDs employing a novel acridine–pyrimidine based high triplet energy host

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