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Finding structural principles for strong hydrogen-bonds: Less stable tautomers form dimers with stronger hydrogen bonds.

Zilberg, Shmuel ; Dick, Bernhard


Two tautomeric forms of a heterocyclic monomer -the preferable M-0 and the one at higher energy, M*, can form three different kinds of hydrogen-bonded dimers: (MM0)-M-0, (MM)-M-0* and M* M*. The lowest-energy dimer (MM0)-M-0 and the highest one M* M* are transformed into each other by double proton transfer (DPT). By the corresponding concerted process, the mixed complex (MM)-M-0* is converted to ...


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