Approach to the conformational behaviour of tetraazamacrocycles in the solution state. NMR and molecular modelling studies | Zendy

Boetzel R. | Zendy; Failla S. | Zendy; Finocchiaro P. | Zendy; Hägele G. | Zendy

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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.

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