Organic nonlinear optical (NLO) materials are very important for high-speed information
processing in addressing the challenges of reduced energy consumption and enhanced …

Noncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic
chemistry, determine not only the molecular packing but also the resulting electronic, optical …

The aggregation behavior of an Indocyanine Cy5 dye (2-[5-[1, 1-dimethyl-3-(4-sulfobutyl)-1,
3-dihydro-benzo [e] indol-2-ylidene]-penta-1, 3-dienyl]-1, 1-dimethyl-3-(4-sulfobutyl)-1 H …

An understanding of structure–property relationships in cyanine dyes is critical for their
design and application. Anionic and cationic cyanines can be organized into complementary …

Molecules and materials with negative real parts of third-order nonlinear optical (NLO)
polarizability Re (γ) are rare despite their advantages for applications such as all-optical …

We present a detailed analysis of the linear polarizability (α) and second hyperpolarizability
(γ) in a series of streptocyanines, as predicted with various range‐separated functionals and …

Counterions with multiple charges have been used to organize polymethines into
multichromophore salt complexes. The intramolecular Coulombic interactions between …

The aggregation of chalcogenopyrylium‐terminated heptamethine dyes in high‐
chromophore density films can be substantially suppressed by attachment of rigid, bulky …

Aggregation of cyanine-like dyes can significantly affect their optical properties. Here we
report the effects of bulky meso-M (PPh3) 2Cl (M= Pd, Ni) substitution on the molecular and …

Long polymethines are well-known experimentally to symmetry-break, which dramatically
modifies their linear and nonlinear optical properties. Computational modeling could be very …