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Stereochemistry and Dynamics of the Hydrobromide of 1‐(Aminomethyl)‐5,6‐dihydroxyisochroman, Semi‐rigid Analogue of Catecholamines
Author(s) -
Bari Lorenzo Di,
UccelloBarretta Gloria,
Manera Clementina
Publication year - 1996
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/(sici)1097-458x(199611)34:11<881::aid-omr982>3.0.co;2-l
Subject(s) - hydrobromide , chemistry , relaxation (psychology) , proton , molecule , dynamics (music) , computational chemistry , stereochemistry , organic chemistry , psychology , social psychology , physics , quantum mechanics , acoustics
By means of several proton and 13 C relaxation experimental techniques, selected internuclear distances and the rotational correlation time for 1‐(aminomethyl)‐5,6‐dihydroxyisochroman hydrobromide were determined. The molecule dissolved in DMSO‐ d 6 does not show relevant internal motions and is found to tumble isotropically. Two different procedures for determining the cross‐relaxation rates, one using mono‐ and biselective relaxation rates and the other following the build‐up of the transient NOE, are compared. The two methods are formally equivalent, but have different advantages and drawbacks while yielding essentially the same structural picture.