Abstract
To rationalize the recently found (Garbacz et al., 2012) [1] difference in magnetic shielding for H and D nuclei in HD, the contribution of excited Πg states has been considered in combination with a symmetry breaking term in Hamiltonian as perturbation (Moss and Sadler, 1987) [2]. The first order perturbed wavefunctions for the ground and four lowest excited 1Πg states were estimated. The resulted difference, σD−σH=0.009ppm, is close to the experimental value, 0.012ppm. In this approach, the effect is originated from nuclear mass dependence of matrix elements of the operator, describing the magnetic coupling of the ground and excited states.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
