Related Experiment Video
Updated: Aug 9, 2026

Optical Trapping of Nanoparticles
Published on: January 15, 2013
General Selection Rule in the Inelastic Neutron Scattering Spectroscopy of a Diatomic Molecule Confined Inside a
Minzhong Xu1, Shufeng Ye1, Zlatko Bačić1,2
1Department of Chemistry, New York University , New York, New York 10003, United States.
Abstract:
Knowledge of the relevant selection rules is crucial for the accurate interpretation of experimental spectra in general. There has been a consensus for a long time that the incoherent inelastic neutron scattering (INS) spectroscopy of the vibrations of discrete molecular compunds is free from any selection rules. We contradict this widely held view by presenting an analytical derivation of the general selection rule for the INS spectroscopy of a hydrogen molecule inside a near-spherical nanocavity. It defines all forbidden transitions, originating in a range of initial translation-rotation (TR) states, ground and excited, of the caged para- and ortho-H2, as well as HD, that are unobservable in the INS spectra. These predictions are amenable to experimental verification. In addition, we demonstrate that the general selection rule applies to the INS spectroscopy of any diatomic molecule in a nanocavity with near-spherical symmetry, which exhibits strong TR coupling. Its existence strongly suggests that similar selection rules apply to the INS spectra of other molecular and supramolecular systems, and need to be identified.
Related Concept Videos
The de Broglie Wavelength
Molecular Orbital Theory II
Atomic Nuclei: Nuclear Spin State Population Distribution
Molecular Spectroscopy: Absorption and Emission
UV–Vis Spectroscopy: Molecular Electronic Transitions
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...

