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Updated: May 16, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Rovibrational levels of helium hydride ion
Krzysztof Pachucki1, Jacek Komasa
1Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland. krp@fuw.edu.pl
Abstract:
Dissociation energy (D(0)) of rovibrational levels of (4)HeH(+) has been predicted theoretically to the accuracy of the order of 0.01 cm(-1). The calculations take into account adiabatic and nonadiabatic corrections as well as relativistic and quantum electrodynamics effects. For the ground rovibrational level D(0) = 14,874.215(10) cm(-1) and it differs by several tens of the inverse centimeter from previous theoretical estimations. For a collection of about 50 transition energies measured between dipole connected levels the difference between theory and experiment is of the order of hundredths of cm(-1) or less.
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