Related Experiment Video
Updated: Feb 3, 2026

Electrospinning of Photocatalytic Electrodes for Dye-sensitized Solar Cells
Published on: June 28, 2017
Mapping Vibronic Couplings in a Solar Cell Dye with Polarization-Selective Two-Dimensional Electronic-Vibrational
James D Gaynor1, Alessio Petrone1, Xiaosong Li1
1Department of Chemistry , University of Washington , Box 351700 , Seattle , Washington 98195 , United States.
Abstract:
This study uses polarization-selective two-dimensional electronic-vibrational (2D EV) spectroscopy to map intramolecular charge transfer in the well-known solar cell dye, [Ru(dcbpy)2(NCS)2]4- (N34-), dissolved in water. A static snapshot of the vibronic couplings present in aqueous N34- is reported. At least three different initially excited singlet metal-to-ligand charge-transfer (MLCT) states are observed to be coupled to vibrational modes probed in the lowest energy triplet MLCT state, emphasizing the role of vibronic coupling in intersystem crossing. Angles between electronic and vibrational transition dipole moments are extracted from spectrally isolated 2D EV peaks and compared with calculations to develop a microscopic description for how vibrations participate with 1MLCT states in charge transfer and intersystem crossing. These results suggest that 1MLCT states with significant electron density in the electron-donating plane formed by the Ru-(NCS)2 will participate strongly in charge transfer through these vibronically coupled degrees of freedom.
Related Concept Videos
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
Molecular Shape and Polarity
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to...
NMR Spectroscopy: Spin–Spin Coupling
Aryldiazonium Salts to Azo Dyes: Diazo Coupling
Group Polarization

