Visualizing Complex-Valued Molecular Orbitals
Related Experiment Video
Updated: Jan 27, 2026

Visualizing Single Molecular Complexes In Vivo Using Advanced Fluorescence Microscopy
Published on: September 8, 2009
Rachael Al-Saadon1, Toru Shiozaki1, Gerald Knizia2
1Department of Chemistry , Northwestern University , 2145 Sheridan Road , Evanston , Illinois 60208 , United States.
Abstract:
We report an implementation of a program for visualizing complex-valued molecular orbitals. The orbital phase information is encoded on each of the vertices of triangle meshes using the standard color wheel. Using this program, we visualized the molecular orbitals for systems with spin-orbit couplings, external magnetic fields, and complex absorbing potentials. Our work has not only created visually attractive pictures but also clearly demonstrated that the phases of the complex-valued molecular orbitals carry rich chemical and physical information on the system, which has often been unnoticed or overlooked.
Related Concept Videos
Molecular Orbital Theory II
Molecular Orbital Theory I
Structure of Benzene: Molecular Orbital Model
π Molecular Orbitals of the Allyl Radical
The allyl systems have identical molecular orbitals but differ in the number of π electrons....
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...
Atomic Orbitals

