Symmetry Effects on NMR Lineshapes of Intramolecular Dihydrogen Exchange Reactions

Symmetry Effects on NMR Lineshapes of Intramolecular Dihydrogen Exchange Reactions 

The spin Hamiltonian of the system consists of three parts The chemical shifts and/or quadrupolar interactions define the individual Hamiltonians of the spins Tj and I2 and the dipolar couplings and exchange interactions define the coupling Hamiltonian Hj j (I l 2 Th mutual exchange of the two nuclei corresponds to a permutation of the two nuclei which exchange their individual chemical shifts and/or quadrupolar couplings with exchange rates = 21 = k. 

A relatively formal derivation in Ref. [11], which is based on the NMR lineshape analysis ideas of Alexander and Binsch [95, 96] shows that the whole dynamics is determined by the following Liouville von Neumann equation for the density matrix p  

Here is the sum of the Liouville super operator and the relaxation super operator R. K is the the self-exchange superoperator 

---