Orange to red emissive aldehyde substituted donor-π-acceptor phenothiazine derivatives: Optoelectronic, DFT and thermal studies

Modification of optoelectronic properties of conjugated oligomers due to donor/acceptor functionalization: DFT study

A comprehensive DFT study of a set of oligo(p-phenylene vinylene) molecules is performed to understand the structural and electronic changes upon functionalization. These changes are rationalized within a model considering frontier molecular orbitals of the p-conjugated system and r-bonding orbital by which the functional group is attached to the host molecule. Two simple scalar quantum chemica...

Excited states and optical response of a donor–acceptor substituted polyene: A TD-DFT study

Optical properties of polar push–pull chromophore (diphenylpolyene with donor/acceptor terminal substituents) are studied using hybrid time-dependent density functional theory (TD-DFT). The optical transitions are thoroughly examined. This includes oneand two-photon absorption, and fluorescence, as a function of the underlying density functional, the basis set choice, and the solvent. Calculate...

Spectral fine tuning of cyanine dyes: electron donor-acceptor substituted analogues of thiazole orange.

The introduction of electron donor and acceptor groups at strategic locations on a fluorogenic cyanine dye allows fine-tuning of the absorption and emission spectra while preserving the ability of the dye to bind to biomolecular hosts such as double-stranded DNA and a single-chain antibody fragment originally selected for binding to the parent unsubstituted dye, thiazole orange (TO). The observ...

Ultrafast photoinduced charge transport in Pt(II) donor-acceptor assembly bearing naphthalimide electron acceptor and phenothiazine electron donor.

Visible light-induced charge transfer dynamics were investigated in a novel transition metal triad acceptor-chromophore-donor, (NDI-phen)Pt(II)(-C≡C-Ph-CH2-PTZ)2 (1), designed for photoinduced charge separation using a combination of time-resolved infrared (TRIR) and femtosecond electronic transient absorption (TA) spectroscopy. In 1, the electron acceptor is 1,4,5,8-naphthalene diimide (NDI), ...

Synthesis of Phenothiazine Substituted Schiff Derivatives and their in vitro antibacterial and antioxidant Studies