• Manoj Kumar Pandey

      Articles written in Journal of Chemical Sciences

    • Effective Floquet Hamiltonian for spin 𝐼 = 1 in magic angle spinning NMR using contact transformation

      Manoj Kumar Pandey Mangala Sunder Krishnan

      More Details Abstract Fulltext PDF

      Contact transformation is an operator transformation method in time-independent perturbation theory which is used successfully in molecular spectroscopy to obtain an effective Hamiltonian. Floquet theory is used to transform the periodic time-dependent Hamiltonian, to a time-independent Floquet Hamiltonian. In this article contact transformation method has been used to get the analytical representation of Floquet Hamiltonian for quadrupolar nuclei with spin 𝐼 = 1 in the presence of an RF field and first order quadrupolar interaction in magic angle spinning NMR experiments. The eigenvalues of contact transformed Hamiltonian as well as Floquet Hamiltonian have been calculated and a comparison is made between the eigenvalues obtained using the two Hamiltonians.

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