Related Experiment Video
Updated: Jun 27, 2026

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
Published on: March 29, 2016
Interaction potentials, spectroscopy, and transport properties of Ne(+)-He and He(+)-Ne
Timothy G Wright1, Benjamin R Gray, Larry A Viehland
1School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, United Kingdom. timothy.wright@nottingham.ac.uk
Abstract:
High-level ab initio potential energy curves are calculated for the lowest few states of the [He-Ne](+) complex. RCCSD(T) calculations are employed with large basis sets (up to sextuple-zeta), including extrapolation to the basis set limit, taking account of spin-orbit coupling. In addition, core-valence correlation and multireference effects are investigated. We calculate spectroscopic parameters and compare these to experimentally determined values, to other high-level ab initio results, and to results from potentials that are fitted to experimental data. We present the results of new measurements of the mobility of Ne(+) in He. We also calculate mobilities for Ne(+) in He, and He(+) in Ne, from our potentials and from recent fitted potentials; and compare the calculated and experimental mobilities graphically and statistically.
Related Concept Videos
Nuclear Overhauser Enhancement (NOE)
Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
2D NMR: Overview of Heteronuclear Correlation Techniques
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 orbitals.
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule

