Abstract
Chemical shifts for a variety of nuclei are discussed with emphasis on the energies of the molecular orbitals in relation to σp, the screening constant. For 59Co, 103Rh, 195Pt, 119Sn, 31P and 15N it is suggested that relatively large changes in δ can be related to the (Eunocc-Eoccup)−1 term in σp consequendy to molecular structure.
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Pregosin, P.S. (1990). The Relation between Chemical Shift and Structure. In: Granger, P., Harris, R.K. (eds) Multinuclear Magnetic Resonance in Liquids and Solids — Chemical Applications. NATO ASI Series, vol 322. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-2149-8_12
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DOI: https://doi.org/10.1007/978-94-009-2149-8_12
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