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Approach to the conformational behaviour of tetraazamacrocycles in the solution state. NMR and molecular modelling studies
Author(s) -
Boetzel R.,
Failla S.,
Finocchiaro P.,
Hägele G.
Publication year - 1995
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.1260330208
Subject(s) - chemistry , diastereomer , steric effects , conformational isomerism , flexibility (engineering) , strain (injury) , stereochemistry , computational chemistry , molecule , organic chemistry , statistics , mathematics , medicine
The differences in complexation behaviour of two diastereomeric tetraazamacrocycles, meso (1) and racemic (2) 5,5,7,12,12,14‐hexamethyl‐1,4,8,11‐tetraazacyclotetradecane, are explained by different conformations in solution, 1 being one stable conformer of almost rigid structure while 2 shows higher conformational flexibility to avoid steric strain. The methods used were 1 H and 13 C NMR and molecular modelling.