Related Experiment Video
Updated: Jan 6, 2026

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps
Published on: August 17, 2017
Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules
Leonid V Poluyanov1, Wolfgang Domcke2, Sabyashachi Mishra3
1Institute of Problems of Chemical Physics, Academy of Sciences, Chernogolovka, Moscow 14232, Russia.
Abstract:
The Renner vibronic-coupling problem in 4Π electronic states of linear molecules is analyzed with rigorous and systematic inclusion of spin-orbit (SO) coupling. The 8 × 8 Hamiltonian matrix of a 4Π state in the diabatic electronic representation has been constructed by a Taylor expansion in the bending normal mode up to second order. As previously found for 2Π states and 3Π states, SO-induced vibronic-coupling terms that are linear in the bending amplitude exist in addition to the quadratic electrostatic Renner coupling. The effects of the linear and quadratic Renner coupling on the four Kramers-degenerate potential energy surfaces of the 4Π state are discussed. The spectroscopic effects of the linear SO-vibronic-coupling mechanism have been analyzed by numerical calculations of vibronic spectra.
More Related Videos
09:00Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
07:56A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
Published on: September 5, 2019
Related Concept Videos
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
Spin–Spin Coupling: One-Bond Coupling
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
¹H NMR: Long-Range Coupling
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...