Abstract
We report analytical solutions to the unitary bound problem for coherence/polarization transfer in IS two-spin-12 systems by means of unitary operations. Theoretical upper bounds for the transfer efficiency along with the associated optimum transformation operators are obtained analytically by decomposing the unitary operator as a product of exponentials in the special unitary Lie group SU(4). Addressing NMR spectroscopy as a specific example, the method is demonstrated for the non-Hermitian transfers I−→S− and 2I−Sz→S− being relevant for heteronuclear single-quantum coherence (HSQC) experiments as well as the double- to single-quantum transfer I−S−→I−Sβ+IβS− being representative for coherence-order and spin-state-selective transfer in INADEQUATE CR experiments. Furthermore, using a Lagrangian function approach it is demonstrated how the method enables analytical description of two-dimensional bounds for Iz→Sz cross polarization.
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