CONFORMATION AND INTERNAL MOBILITY OF 5H-DIBENZO[A,D]CYCLOHEPTENE DERIVATIVES IN SOLUTION - CONFORMATIONAL-ANALYSIS OF HIGHLY FLEXIBLE STRUCTURES .2.

The conformational possibilities of 5-(3'-N,N-dimethylaminopropyl)-5 H-dibenzo[a,d]-cycloheptene (1), 5-(3'-N,N-dimethylaminopropylidene)-10,11-dihydro-5 H-dibenzo[a,d]cycloheptene (2), and 5-(3'-N,N-dimethylaminopropyl)-10,11-dihydro-5 H-dibenzo[a,d]cycloheptene (3) are analysed using empirical force field methods. Minimum energy conformations, interconversion pathways, interconversion graphs and interconversion energies are examined in view of the analysis of conformer equilibria of 1, 2, or 3 in solution. In addition, some basic requirements of the analysis of fast interconverting conformers using the lanthanide induced shift method are discussed.