Investigation of prototropic equilibria by carbon‐13 relaxation time analysis | Zendy

Elst L. Vander | Zendy; Van Haverbeke Y. | Zendy; Maquestiau A. | Zendy; Muller R. N. | Zendy

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Investigation of prototropic equilibria by carbon‐13 relaxation time analysis

Author(s) -

Elst L. Vander,

Van Haverbeke Y.,

Maquestiau A.,

Muller R. N.

Publication year - 1987

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1260250105

Subject(s) - chemistry , relaxation (psychology) , dipole , spin–lattice relaxation , proton , computational chemistry , hydrogen , crystallography , organic chemistry , psychology , social psychology , physics , quantum mechanics

Quaternary 13 C dipole–dipole spin–lattice relaxation times are used to analyse prototropic equilibria of 2‐acetylbenzimidazole (1) and 4‐azabenzimidazole in DMSO‐ d 6 solutions. For the first compound, fast exchange between the two chelated structures prevails for 13 C relaxation times, whereas proton and 13 C chemical shifts characterize a slow exchange. For 4‐azabenzimidazole, 13 C and 1 H spectra do not exhibit absorptions from structures in slow exchange. Analysis of the T 1 values of carbons 8 and 9 before and after isotopic exchange of the labile amino hydrogen clearly show that the major component of the equilibrium is the 3 H structure.

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