vibronics

Vibronics refers to the combined electronic and vibrational excitations that occur in molecules, solids, and biological systems. The term combines “vibrational” and “electronic” to describe states that cannot be described solely by electronic energy levels or by vibrational modes alone. In a vibronic state the electronic and nuclear motions are coupled, leading to a set of mixed energy levels that are observed in spectroscopic measurements such as absorption, emission, and resonance Raman spectra.

The concept originates from early quantum‑chemical treatments of molecular spectra, where Franck–Condon factors were used to explain the intensity distribution of vibronic transitions. It was later found that vibronic coupling plays a critical role in processes such as internal conversion, intersystem crossing, and charge transport. In photovoltaic devices and organic light‑emitting diodes, tuning vibronic interactions can enhance energy transfer efficiency or improve device stability. In photosynthetic complexes, strong vibronic coupling has been proposed to support quantum coherence over biologically relevant timescales, helping to explain the remarkably high energy‑transfer efficiencies observed in nature.

Experimental observation of vibronic features is typically achieved through high‑resolution spectroscopies. Ultrafast pump–probe techniques can capture the dynamics of coupled electronic–vibrational states on femtosecond timescales. Complementary theoretical approaches—such as non‑adiabatic molecular dynamics, time‑dependent density functional theory, and vibronic Hamiltonian models—enable the prediction of vibronic spectra and the interpretation of experimental data.

Despite being a well‑established concept, vibronics continues to be an active field of research. Advances in femtosecond spectroscopy, quantum computing, and artificial light‑harvesting systems push the boundaries of our understanding, offering new opportunities to manipulate vibronic coupling for applications in energy conversion, quantum information processing, and optoelectronic device engineering.