Olena Postupna

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A series of PPVO (p-phenylene vinylene oligomer) derivatives with functional groups of varying electronegativity were synthesized via the Horner-Wadsworth-Emmons reaction. Subtle changes in the end group functionality significantly impact the molecular electronic and optical properties of the PPVOs, resulting in broadly tunable and efficient UV absorption(More)
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(More)
Only optically active excitons can be identified by transient absorption spectroscopy, and the actual mechanisms of exciton relaxation in nanoscale systems remain unknown as dipole-forbidden transitions and charge-transfer states are not accounted for. Focusing on interacting (6,4) and (8,4) carbon nanotubes (CNTs), we show that dark excitons largely(More)
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