Two-dimensional electronic spectroscopy of Betaine-30 DOI
Stephen R. Meech, James N. Bull, Giovanni Bressan

et al.

The Journal of Chemical Physics, Journal Year: 2025, Volume and Issue: 162(18)

Published: May 8, 2025

Betaine-30 is well-established as a standard dye for solvatochromism and has long been studied by ultrafast spectroscopy. Electronic excitation leads to rapid intramolecular electron transfer, while the decay of resulting state corresponds back transfer electronic ground state. Thus, Betaine-30’s photophysics offers route probing role that vibrational solvent dynamics play in reaction rates. Here, we probe excited two solvents (ethanol acetonitrile) means two-dimensional Population ethanol are measured at pump wavelengths, global analysis reveals wavelength dependence rate. This assigned distinct conformers, which confirmed quantum chemical calculations. “Beatmaps” coherently vibrations recovered analyzed terms contribution Raman active modes states. The strong function rate reaction.

Language: Английский

The first step of cyanine dye self-assembly: Dimerization DOI Creative Commons
Mónica K. Espinoza Cangahuala, Sundar Raj Krishnaswamy, Alexey V. Kuevda

et al.

The Journal of Chemical Physics, Journal Year: 2025, Volume and Issue: 162(5)

Published: Feb. 6, 2025

Self-assembling amphiphilic cyanine dyes, such as C8S3, are promising candidates for energy storage and optoelectronic applications due to their efficient transport properties. C8S3 is known self-assemble in water into double-walled J-aggregates. Thus far, the molecular self-assembly steps remain shrouded mystery. Here, we employ a multiscale approach unravel first step: dimerization. Our combines dynamics simulations with quantum chemistry calculations obtain Frenkel exciton Hamiltonian, which then use spectral determine absorption two-dimensional electronic spectra of monomer dimer systems. We model these systems solvated both methanol, validating our experiments methanol solution. theoretical results predict measurable anisotropy decay upon dimerization, experimentally confirmed. provides tool experimental probing Moreover, reveal that conformation characterized by interaction between hydrophobic aliphatic tails rather than π–π stacking previously reported other dyes. pave way future research mechanism similar light-harvesting complexes, offering valuable insights understanding optimizing processes various (nano)technological applications.

Language: Английский

Citations

1
Two-dimensional electronic spectroscopy of Betaine-30 DOI
Stephen R. Meech, James N. Bull, Giovanni Bressan

et al.

The Journal of Chemical Physics, Journal Year: 2025, Volume and Issue: 162(18)

Published: May 8, 2025

Betaine-30 is well-established as a standard dye for solvatochromism and has long been studied by ultrafast spectroscopy. Electronic excitation leads to rapid intramolecular electron transfer, while the decay of resulting state corresponds back transfer electronic ground state. Thus, Betaine-30’s photophysics offers route probing role that vibrational solvent dynamics play in reaction rates. Here, we probe excited two solvents (ethanol acetonitrile) means two-dimensional Population ethanol are measured at pump wavelengths, global analysis reveals wavelength dependence rate. This assigned distinct conformers, which confirmed quantum chemical calculations. “Beatmaps” coherently vibrations recovered analyzed terms contribution Raman active modes states. The strong function rate reaction.

Language: Английский

Citations

0