Bichromophores bearing s-triazinyl ring spacer: A role of charge transfer states on fluorescence quenching of excitation energy acceptor moieties

The theoretical investigation of four series of 1,3,5‐triazine derivatives (viz., TN, NTN, STN, and OTN series), which are substituted with polycyclic aromatic hydrocarbons, is carried out by employing density functional theory and time dependent‐density functional theory. The triazine ring acts as electron acceptor (A) and polycyclic aromatic hydrocarbons act as electron donors (D). The aromatic hydrocarbons like benzene, naphthalene (two fused rings), anthracene (three fused rings), and pyrene (four fused rings) are substituted on 1,3,5‐triazine core by means of a bridging heteroatom N, S, and O in the case of NTN, STN, and OTN series of molecules, respectively, whereas polycyclic aromatic hydrocarbons are directly connected to 1,3,5‐triazine in the case of TN series of molecules. The present work aims at examining the impact of number of fused aromatic rings and changing the bridging unit between electron acceptor and electron donor on absorption properties, HOMO‐LUMO gap and first hyperpolarizabilities of molecules under study and provides important insights for architecture of organic molecules for applications in organic optoelectronics.

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Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5‐triazine derivatives: A computational insight

Vidya

Chetti

2020

J of Physical Organic Chem

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Novel 1- and 9-aminoanthracene/3-aminobenzanthrone bichromophores exhibiting through-bond excitation energy transfer

et al. 2015

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Bichromophores bearing s-triazinyl ring spacer: A role of charge transfer states on fluorescence quenching of excitation energy acceptor moieties

Cited by 2 publications

References 24 publications

Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5‐triazine derivatives: A computational insight

Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5‐triazine derivatives: A computational insight

Novel 1- and 9-aminoanthracene/3-aminobenzanthrone bichromophores exhibiting through-bond excitation energy transfer

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